2014
| AhR sensing of bacterial pigments regulates antibacterial defence Nature (2014) |
| Diversity-oriented synthesis as a tool for identifying new modulators of mitosis Nature Communications 5 (2014) |
| A guide to the visual analysis and communication of biomolecular structural data Nature Reviews Molecular Cell Biology 15 (10) (2014) 690-698 |
| Asymmetric triplex metallohelices with high and selective activity against cancer cells Nature chemistry 6 (9) (2014) 797-803 |
| Synthetic retinal analogues modify the spectral and kinetic characteristics of microbial rhodopsin optogenetic tools Nature communications 5 (2014) |
| Duplication of a promiscuous transcription factor drives the emergence of a new regulatory network Nature communications 5 (2014) |
| Molecular architecture and the structural basis for anion interaction in prestin and SLC26 transporters Nature communications 5 (2014) |
| Similarity-based modeling in large-scale prediction of drug-drug interactions Nature protocols 9 (9) (2014) 2147-2163 |
| Antibody modeling using the Prediction of ImmunoGlobulin Structure (PIGS) web server Nature protocols 9 (12) (2014) 2771-2783 |
| Discovery and characterization of MAPK-activated protein kinase-2 prevention of activation inhibitors Journal of medicinal chemistry 58 (1) (2014) 278-293 |
| Synthesis and pharmacological evaluation of 5-pyrrolidinylquinoxalines as a novel class of peripherally restricted κ-opioid receptor agonists Journal of medicinal chemistry 57 (15) (2014) 6845-6860 |
| Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors Journal of medicinal chemistry 57 (23) (2014) 9945-9957 |
| Discovery of the first potent and orally available agonist of the orphan G-protein-coupled receptor 52 Journal of medicinal chemistry 57 (12) (2014) 5226-5237 |
| In Vivo Phenotypic Screening for Treating Chronic Neuropathic Pain: Modification of C 2-Arylethynyl Group of Conformationally Constrained A3 Adenosine Receptor Agonists Journal of medicinal chemistry 57 (23) (2014) 9901-9914 |
| Synthesis and evaluation of bisbenzylidenedioxotetrahydrothiopranones as activators of endoplasmic reticulum (ER) stress signaling pathways and apoptotic cell death in acute promyelocytic leukemic cells Journal of medicinal chemistry 57 (14) (2014) 5904-5918 |
| Identification of a novel aminotetralin class of HDAC6 and HDAC8 selective inhibitors Journal of medicinal chemistry 57 (19) (2014) 8026-8034 |
| Property-and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors Journal of medicinal chemistry 57 (13) (2014) 5714-5727 |
| Impact of stereospecific intramolecular hydrogen bonding on cell permeability and physicochemical properties Journal of medicinal chemistry 57 (6) (2014) 2746-2754 |
| Extending the Structure–Activity Relationship of Anthranilic Acid Derivatives As Farnesoid X Receptor Modulators: Development of a Highly Potent Partial Farnesoid X Receptor Agonist Journal of medicinal chemistry 57 (19) (2014) 8035-8055 |
| The Discovery of Polo-Like Kinase 4 Inhibitors: Design and Optimization of Spiro [cyclopropane-1, 3′[3 H] indol]-2′(1′ H)-ones as Orally Bioavailable Antitumor Agents Journal of medicinal chemistry 58 (1) (2014) 130-146 |
| The Discovery of Polo-Like Kinase 4 Inhibitors: Identification of (1 R, 2 S)-2-(3-((E)-4-(((cis)-2, 6-Dimethylmorpholino) methyl) styryl)-1 H-indazol-6-yl)-5′-methoxyspiro [cyclopropane-1, 3′-indolin]-2′-one (CFI-400945) as a Potent, Orally Active Antitumor Agent Journal of medicinal chemistry 58 (1) (2014) 147-169 |
| Efficient modulation of γ-aminobutyric acid type A receptors by piperine derivatives Journal of medicinal chemistry 57 (13) (2014) 5602-5619 |
| Molecular simulations with solvent competition quantify water displaceability and provide accurate interaction maps of protein binding sites Journal of medicinal chemistry 57 (20) (2014) 8530-8539 |
| Optimized Protein Kinase Cθ (PKCθ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis Journal of medicinal chemistry 58 (1) (2014) 333-346 |
| Small-molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): Synthesis and biological evaluation Journal of medicinal chemistry 57 (18) (2014) 7702-7715 |
| Difluoro-dioxolo-benzoimidazol-benzamides As Potent Inhibitors of CK1δ and ε with Nanomolar Inhibitory Activity on Cancer Cell Proliferation Journal of medicinal chemistry 57 (19) (2014) 7933-7946 |
| 2-Amino-3-(phenylsulfanyl) norbornane-2-carboxylate: An Appealing Scaffold for the Design of Rac1–Tiam1 Protein–Protein Interaction Inhibitors Journal of medicinal chemistry 57 (7) (2014) 2953-2962 |
| Physicochemical Descriptors of Aromatic Character and Their Use in Drug Discovery: Miniperspective Journal of medicinal chemistry 57 (17) (2014) 7206-7215 |
| Synthesis, antimitotic and antivascular activity of 1-(3′, 4′, 5′-trimethoxybenzoyl)-3-arylamino-5-amino-1, 2, 4-triazoles Journal of medicinal chemistry 57 (15) (2014) 6795-6808 |
| Scaffold Decoration at Positions 5 and 8 of 1, 2, 4-Triazolo [1, 5-c] Pyrimidines to Explore the Antagonist Profiling on Adenosine Receptors: A Preliminary Structure–Activity Relationship Study Journal of medicinal chemistry 57 (14) (2014) 6210-6225 |
| Discovery of biarylaminoquinazolines as novel tubulin polymerization inhibitors Journal of medicinal chemistry 57 (11) (2014) 4598-4605 |
| SAR156497, an exquisitely selective inhibitor of aurora kinases Journal of medicinal chemistry 58 (1) (2014) 362-375 |
| Novel N-linked aminopiperidine-based gyrase inhibitors with improved hERG and in vivo efficacy against Mycobacterium tuberculosis Journal of medicinal chemistry 57 (11) (2014) 4889-4905 |
| β-Lactam estrogen receptor antagonists and a dual-targeting estrogen receptor/tubulin ligand Journal of medicinal chemistry 57 (22) (2014) 9370-9382 |
| Comprehensive analysis of three-dimensional activity cliffs formed by kinase inhibitors with different binding modes and cliff mapping of structural analogues Journal of medicinal chemistry 58 (1) (2014) 252-264 |
| Design and synthesis of sulfamoyl benzoic acid analogues with subnanomolar agonist activity specific to the LPA2 receptor Journal of medicinal chemistry 57 (16) (2014) 7136-7140 |
| Identification of highly efficacious glucocorticoid receptor agonists with a potential for reduced clinical bone side effects Journal of medicinal chemistry 57 (4) (2014) 1583-1598 |
| Discovery and preclinical profiling of 3-[4-(Morpholin-4-yl)-7 H-pyrrolo [2, 3-d] pyrimidin-5-yl] benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 Kinase inhibitor Journal of medicinal chemistry 58 (1) (2014) 419-432 |
| New pyrrole derivatives with potent tubulin polymerization inhibiting activity as anticancer agents including hedgehog-dependent cancer Journal of medicinal chemistry 57 (15) (2014) 6531-6552 |
| Discovery of small-molecule inhibitors selectively targeting the DNA-binding domain of the human androgen receptor Journal of medicinal chemistry 57 (15) (2014) 6458-6467 |
| Discovery of 2-[3, 5-dichloro-4-(5-isopropyl-6-oxo-1, 6-dihydropyridazin-3-yloxy) phenyl]-3, 5-dioxo-2, 3, 4, 5-tetrahydro [1, 2, 4] triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptor β agonist in clinical trials for the treatment of dyslipidemia Journal of medicinal chemistry 57 (10) (2014) 3912-3923 |
| Discovery of novel highly potent hepatitis C virus NS5A inhibitor (AV4025) Journal of medicinal chemistry 57 (18) (2014) 7716-7730 |
| Can amphipathic helices influence the CNS antinociceptive activity of glycopeptides related to β-endorphin? Journal of medicinal chemistry 57 (6) (2014) 2237-2246 |
| RXR partial agonist produced by side chain repositioning of alkoxy RXR full agonist retains antitype 2 diabetes activity without the adverse effects Journal of medicinal chemistry 58 (2) (2014) 912-926 |
| GPR103 antagonists demonstrating anorexigenic activity in vivo: design and development of pyrrolo [2, 3-c] pyridines that mimic the C-terminal Arg-Phe Motif of QRFP26 Journal of medicinal chemistry 57 (14) (2014) 5935-5948 |
| Discovery of a potent, selective, and orally active phosphodiesterase 10A inhibitor for the potential treatment of schizophrenia Journal of medicinal chemistry 57 (10) (2014) 4196-4212 |
| Synthesis of 2-{2-[(a/b-naphthalen-yl} acetamides with 11b-hydroxysteroid dehydrogenase inhibition and in combo antidiabetic activities q European Journal of Medicinal Chemistry 74 (17) (2014) 9e186 |
| Molecular basis of the selective binding of MDMA enantiomers to the alpha4beta2 nicotinic receptor subtype: Synthesis, pharmacological evaluation and mechanistic studies European journal of medicinal chemistry 81 (2014) 35-46 |
| Synthesis of 2-{2-[(α/β-naphthalen-1-ylsulfonyl) amino]-1, 3-thiazol-4-yl} acetamides with 11β-hydroxysteroid dehydrogenase inhibition and in combo antidiabetic activities European journal of medicinal chemistry 74 (2014) 179-186 |
| Design, synthesis, antimicrobial evaluation and molecular docking studies of some new thiophene, pyrazole and pyridone derivatives bearing sulfisoxazole moiety European journal of medicinal chemistry 84 (2014) 491-504 |
| Novel structural hybrids of pyrazolobenzothiazines with benzimidazoles as cholinesterase inhibitors European journal of medicinal chemistry 78 (2014) 106-117 |
| Synthesis and antiproliferative action of a novel series of maprotiline analogues European journal of medicinal chemistry 71 (2014) 333-353 |
| Synthesis, biological activity and structure–activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells European journal of medicinal chemistry 71 (2014) 112-127 |
| Sulfamates of methyl triterpenoates are effective and competitive inhibitors of carbonic anhydrase II European journal of medicinal chemistry 86 (2014) 95-102 |
| Synthesis of new class of spirocarbocycle derivatives by multicomponent domino reaction and their evaluation for antimicrobial, anticancer activity and molecular docking studies European journal of medicinal chemistry 83 (2014) 190-207 |
| Celecoxib analogs bearing benzofuran moiety as cyclooxygenase-2 inhibitors: design, synthesis and evaluation as potential anti-inflammatory agents European journal of medicinal chemistry 76 (2014) 482-493 |
| Design, synthesis and biological evaluation of imine resveratrol derivatives as multi-targeted agents against Alzheimer's disease European journal of medicinal chemistry 71 (2014) 36-45 |
| Synthesis, cytotoxicity and molecular modelling studies of new phenylcinnamide derivatives as potent inhibitors of cholinesterases European journal of medicinal chemistry 78 (2014) 43-53 |
| Identification of human presequence protease (hPreP) agonists for the treatment of Alzheimer's disease European journal of medicinal chemistry 76 (2014) 506-516 |
| New aminobenzenesulfonamide–thiourea conjugates: Synthesis and carbonic anhydrase inhibition and docking studies European journal of medicinal chemistry 78 (2014) 140-150 |
| 7-Amino-2-phenylpyrazolo [4, 3-d] pyrimidine derivatives: Structural investigations at the 5-position to target human A 1 and A 2A adenosine receptors. Molecular modeling and pharmacological studies European journal of medicinal chemistry 84 (2014) 614-627 |
| Design, synthesis and evaluation of multifunctional salphen derivatives for the treatment of Alzheimer's disease European journal of medicinal chemistry 87 (2014) 540-551 |
| 1-(4-Methoxyphenyl)-5-(3, 4, 5-trimethoxyphenyl)-1H-1, 2, 4-triazole-3-carboxamides: Synthesis, molecular modeling, evaluation of their anti-inflammatory activity and ulcerogenicity European journal of medicinal chemistry 77 (2014) 155-165 |
| Synthesis of (3-hydroxy-pyrazolin-5-yl) glycine based ligands interacting with ionotropic glutamate receptors European journal of medicinal chemistry 75 (2014) 151-158 |
| Development of quinone analogues as dynamin GTPase inhibitors European journal of medicinal chemistry 85 (2014) 191-206 |
| Dual inhibition of the α-glucosidase and butyrylcholinesterase studied by Molecular Field Topology Analysis European journal of medicinal chemistry 80 (2014) 228-242 |
| Design and synthesis of Lapatinib derivatives containing a branched side chain as HER1/HER2 targeting antitumor drug candidates European journal of medicinal chemistry 87 (2014) 631-642 |
| Polycyclic propargylamine and acetylene derivatives as multifunctional neuroprotective agents European journal of medicinal chemistry 80 (2014) 122-134 |
| Synthesis and structure–activity relationship of trisubstituted thiazoles as Cdc7 kinase inhibitors European journal of medicinal chemistry 80 (2014) 364-382 |
| Many drugs contain unique scaffolds with varying structural relationships to scaffolds of currently available bioactive compounds European journal of medicinal chemistry 76 (2014) 427-434 |
| Selective COX-1 inhibition as a target of theranostic novel diarylisoxazoles European journal of medicinal chemistry 74 (2014) 606-618 |
| Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles European journal of medicinal chemistry 77 (2014) 91-95 |
| A novel tamoxifen derivative, ridaifen-F, is a nonpeptidic small-molecule proteasome inhibitor European journal of medicinal chemistry 71 (2014) 290-305 |
| 9-and 11-substituted 4-azapaullones are potent and selective inhibitors of African trypanosoma European journal of medicinal chemistry 83 (2014) 274-283 |
| Analogue-based design, synthesis and biological evaluation of 3-substituted-(methylenehydrazono) indolin-2-ones as anticancer agents European journal of medicinal chemistry 78 (2014) 275-280 |
| New indolylarylsulfones as highly potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors European journal of medicinal chemistry 80 (2014) 101-111 |
| 4-Amino-2-arylamino-6-(2, 6-dichlorophenyl)-pyrido [2, 3-d] pyrimidin-7-(8H)-ones as BCR kinase inhibitors for B lymphoid malignancies European journal of medicinal chemistry 86 (2014) 664-675 |
| Synthesis and optimization of an original V-shaped collection of 4-7-disubstituted pyrido [3, 2-d] pyrimidines as CDK5 and DYRK1A inhibitors European journal of medicinal chemistry 80 (2014) 352-363 |
| Synthesis and evaluation of 4-anilinoquinazoline bioisosteres as potential anti-breast cancer agents European journal of medicinal chemistry 86 (2014) 202-210 |
| 2-Substituted 3-methylnaphtho [1, 2-b] furan-4, 5-diones as novel L-shaped ortho-quinone substrates for NAD (P) H: quinone oxidoreductase (NQO1) European journal of medicinal chemistry 82 (2014) 56-67 |
| Novel sulfonamides bearing pyrrole and pyrrolopyrimidine moieties as carbonic anhydrase inhibitors: synthesis, cytotoxic activity and molecular modeling European journal of medicinal chemistry 87 (2014) 186-196 |
| Guanidinium-based derivatives: Searching for new kinase inhibitors European journal of medicinal chemistry 81 (2014) 427-441 |
| Nonclassical antifolates, part 5. Benzodiazepine analogs as a new class of DHFR inhibitors: Synthesis, antitumor testing and molecular modeling study European journal of medicinal chemistry 74 (2014) 234-245 |
| Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes Journal of cheminformatics 6 (1) (2014) 1 |
| On the validity versus utility of activity landscapes: are all activity cliffs statistically significant? Journal of cheminformatics 6 (1) (2014) 1 |
| Supervised extensions of chemography approaches: case studies of chemical liabilities assessment Journal of cheminformatics 6 (1) (2014) 1 |
| A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening Journal of cheminformatics 6 (1) (2014) 1 |
| Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers Journal of cheminformatics 6 (1) (2014) 1 |
| Network understanding of herb medicine via rapid identification of ingredient-target interactions Scientific reports 4 (2014) |
| NAD-dependent isocitrate dehydrogenase as a novel target of tributyltin in human embryonic carcinoma cells Scientific reports 4 (2014) |
| Lysine pyrrolation is a naturally-occurring covalent modification involved in the production of DNA mimic proteins Scientific reports 4 (2014) |
| Rational design and validation of a Tip60 histone acetyltransferase inhibitor Scientific reports 4 (2014) |
| Composing compound libraries for hit discovery-rationality-driven preselection or random choice by structural diversity? Future medicinal chemistry 6 (18) (2014) 2057-2072 |
| Chemoinformatic characterization of activity and selectivity switches of antiprotozoal compounds Future medicinal chemistry 6 (3) (2014) 281-294 |
| Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts Future medicinal chemistry 6 (18) (2014) 2029-2056 |
| Surface plasmon resonance-more than a screening technology: insights in the binding mode of σ70: core RNAP inhibitors Future medicinal chemistry 6 (14) (2014) 1551-1565 |
| Integrative and personalized QSAR analysis in cancer by kernelized Bayesian matrix factorization Journal of chemical information and modeling 54 (8) (2014) 2347-2359 |
| Ligand binding mode prediction by docking: MDM2/MDMX inhibitors as a case study Journal of chemical information and modeling 54 (2) (2014) 648-659 |
| A refined model of the HCV NS5A protein bound to daclatasvir explains drug-resistant mutations and activity against divergent genotypes Journal of chemical information and modeling 55 (2) (2014) 362-373 |
| Generalized Workflow for Generating Highly Predictive in Silico Off-Target Activity Models Journal of chemical information and modeling 54 (9) (2014) 2411-2422 |
| Application of quantitative structure–activity relationship models of 5-HT1A receptor binding to virtual screening identifies novel and potent 5-HT1A ligands Journal of chemical information and modeling 54 (2) (2014) 634-647 |
| Molecular topology applied to the discovery of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2 H-pyrrole-5-one as a non-ligand-binding-pocket antiandrogen Journal of chemical information and modeling 54 (10) (2014) 2953-2966 |
| Structural protein–ligand interaction fingerprints (SPLIF) for structure-based virtual screening: method and benchmark study Journal of chemical information and modeling 54 (9) (2014) 2555-2561 |
| Identification of novel potential antibiotics against Staphylococcus using structure-based drug screening targeting dihydrofolate reductase Journal of chemical information and modeling 54 (4) (2014) 1242-1253 |
| Study of Chromatographic Retention of Natural Terpenoids by Chemoinformatic Tools Journal of chemical information and modeling 55 (1) (2014) 26-38 |
| (−) Arctigenin and (+) Pinoresinol Are Antagonists of the Human Thyroid Hormone Receptor β Journal of chemical information and modeling 54 (11) (2014) 3051-3055 |
| Blocked inverted indices for exact clustering of large chemical spaces Journal of chemical information and modeling 54 (9) (2014) 2395-2401 |
| Bridging molecular docking to membrane molecular dynamics to investigate GPCR–ligand recognition: the human A2A adenosine receptor as a key study Journal of chemical information and modeling 54 (1) (2014) 169-183 |
| Prediction of Compound Potency Changes in Matched Molecular Pairs Using Support Vector Regression Journal of chemical information and modeling 54 (10) (2014) 2654-2663 |
| Perturbation of fluid dynamics properties of water molecules during G protein-coupled receptor–ligand recognition: the human A2A adenosine receptor as a key study Journal of chemical information and modeling 54 (10) (2014) 2846-2855 |
| Ligand and structure-based classification models for prediction of P-glycoprotein inhibitors Journal of chemical information and modeling 54 (1) (2014) 218-229 |
| Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge Journal of chemical information and modeling 55 (1) (2014) 84-94 |
| Global quantitative structure–activity relationship models vs selected local models as predictors of off-target activities for project compounds Journal of chemical information and modeling 54 (4) (2014) 1083-1092 |
| DiSCuS: an open platform for (not only) virtual screening results management Journal of chemical information and modeling 54 (1) (2014) 347-354 |
| Binding Free-Energy Calculation Is a Powerful Tool for Drug Optimization: Calculation and Measurement of Binding Free Energy for 7-Azaindole Derivatives to Glycogen Synthase Kinase-3β Journal of chemical information and modeling 54 (6) (2014) 1653-1660 |
| inSARa: Intuitive and interactive SAR interpretation by reduced graphs and hierarchical MCS-based network navigation Journal of chemical information and modeling 54 (6) (2014) 1578-1595 |
| ZINClick: a database of 16 million novel, patentable, and readily synthesizable 1, 4-disubstituted triazoles Journal of chemical information and modeling 54 (2) (2014) 396-406 |
| Application of docking and QM/MM-GBSA rescoring to screen for novel Myt1 kinase inhibitors Journal of chemical information and modeling 54 (3) (2014) 881-893 |
| Identification of sumoylation inhibitors targeting a predicted pocket in Ubc9 Journal of chemical information and modeling 54 (10) (2014) 2784-2793 |
| Macrocycle conformational sampling with MacroModel Journal of chemical information and modeling 54 (10) (2014) 2680-2696 |
| Structure based design, synthesis, pharmacophore modeling, virtual screening, and molecular docking studies for identification of novel cyclophilin D inhibitors Journal of chemical information and modeling 54 (3) (2014) 902-912 |
| Molecular Dynamics Studies of the Protein–Protein Interactions in Inhibitor of κB Kinase-β Journal of chemical information and modeling 54 (2) (2014) 562-572 |
| Flexibility and Explicit Solvent in Molecular-Dynamics-Based Docking of Protein–Glycosaminoglycan Systems Journal of chemical information and modeling 54 (2) (2014) 582-592 |
| Prediction of Compounds in Different Local Structure–Activity Relationship Environments Using Emerging Chemical Patterns Journal of chemical information and modeling 54 (5) (2014) 1301-1310 |
| Pharmacophore-Based Virtual Screening and Experimental Validation of Novel Inhibitors against Cyanobacterial Fructose-1, 6-/Sedoheptulose-1, 7-bisphosphatase Journal of chemical information and modeling 54 (3) (2014) 894-901 |
| Fragment-based docking: development of the CHARMMing Web user interface as a platform for computer-aided drug design Journal of chemical information and modeling 54 (9) (2014) 2612-2620 |
| Ligand efficiency-based support vector regression models for predicting bioactivities of ligands to drug target proteins Journal of chemical information and modeling 54 (10) (2014) 2751-2763 |
| Alternative quality assessment strategy to compare performances of GPCR-ligand docking protocols: the human adenosine A2A receptor as a case study Journal of chemical information and modeling 54 (8) (2014) 2243-2254 |
| β-Amyloid and neprilysin computational studies identify critical residues implicated in binding specificity Journal of chemical information and modeling 54 (4) (2014) 1157-1165 |
| Coarse-Grained Model of Glycosaminoglycans Journal of chemical information and modeling 55 (1) (2014) 114-124 |
| Automated building of organometallic complexes from 3D fragments Journal of chemical information and modeling 54 (7) (2014) 1919-1931 |
| Targeting dynamic pockets of HIV-1 protease by structure-based computational screening for allosteric inhibitors Journal of chemical information and modeling 54 (3) (2014) 987-991 |
| Modeling a crowdsourced definition of molecular complexity Journal of chemical information and modeling 54 (6) (2014) 1604-1616 |
| Acyl transfer mechanisms of tissue transglutaminase Bioorganic chemistry 57 (2014) 186-197 |
| 3-Hydroxypyrrolidine and (3, 4)-dihydroxypyrrolidine derivatives: inhibition of rat intestinal α-glucosidase Bioorganic chemistry 54 (2014) 81-88 |
| Design, synthesis, molecular docking studies and in vitro screening of ethyl 4-(3-benzoylthioureido) benzoates as urease inhibitors Bioorganic chemistry 52 (2014) 1-7 |
| New series of 6-substituted coumarin derivatives as effective factor Xa inhibitors: Synthesis, in vivo antithrombotic evaluation and molecular docking Bioorganic chemistry 52 (2014) 31-43 |
| Substrate flexibility and reaction specificity of tropinone reductase-like short-chain dehydrogenases Bioorganic chemistry 53 (2014) 37-49 |
| Site-identification by ligand competitive saturation (silcs) assisted pharmacophore modeling Journal of computer-aided molecular design 28 (5) (2014) 491-507 |
| Design, synthesis and experimental validation of novel potential chemopreventive agents using random forest and support vector machine binary classifiers Journal of computer-aided molecular design 28 (6) (2014) 631-646 |
| Combining in silico and in cerebro approaches for virtual screening and pose prediction in SAMPL4 Journal of computer-aided molecular design 28 (4) (2014) 363-373 |
| Structure-based design, synthesis and biological evaluation of β-glucuronidase inhibitors Journal of computer-aided molecular design 28 (5) (2014) 577-585 |
| MLP Tools: a PyMOL plugin for using the molecular lipophilicity potential in computer-aided drug design Journal of computer-aided molecular design 28 (5) (2014) 587-596 |
| Creating and virtually screening databases of fluorescently-labelled compounds for the discovery of target-specific molecular probes Journal of computer-aided molecular design 28 (11) (2014) 1129-1142 |
| Extensive all-atom Monte Carlo sampling and QM/MM corrections in the SAMPL4 hydration free energy challenge Journal of computer-aided molecular design 28 (3) (2014) 187-200 |
| Identification of novel peroxisome proliferator-activated receptor-gamma (PPARγ) agonists using molecular modeling method Journal of computer-aided molecular design 28 (11) (2014) 1143-1151 |
| Investigation of the flexibility of protein kinases implicated in the pathology of Alzheimer’s disease Molecules 19 (7) (2014) 9134-9159 |
| A Multi-Scale Computational Study on the Mechanism of Streptococcus pneumoniae Nicotinamidase (SpNic) Molecules 19 (10) (2014) 15735-15753 |
| Integrated computational tools for identification of CCR5 antagonists as potential HIV-1 entry inhibitors: Homology modeling, virtual screening, molecular dynamics simulations and 3D QSAR analysis Molecules 19 (4) (2014) 5243-5265 |
| Inhibition and Biochemical Characterization of Methicillin-Resistant Staphylococcus aureus Shikimate Dehydrogenase: An in Silico and Kinetic Study Molecules 19 (4) (2014) 4491-4509 |
| A New Urease Inhibitor from Viola betonicifolia Molecules 19 (10) (2014) 16770-16778 |
| Synthesis, anti-microbial and molecular docking studies of quinazolin-4 (3H)-one derivatives Molecules 19 (7) (2014) 8725-8739 |
| The azaindole framework in the design of kinase inhibitors Molecules 19 (12) (2014) 19935-19979 |
| Synthesis, Cytotoxic Activity and 2D-QSAR Study of Some Imidazoquinazoline Derivatives Molecules 19 (3) (2014) 3777-3792 |
| In silico Design, Synthesis, and Screening of Novel Deoxyhypusine Synthase Inhibitors Targeting HIV‐1 Replication ChemMedChem 9 (5) (2014) 940-952 |
| α‐Keto phenylamides as P1′‐extended proteasome inhibitors ChemMedChem 9 (11) (2014) 2557-2564 |
| A Chimeric SERM–Histone Deacetylase Inhibitor Approach to Breast Cancer Therapy ChemMedChem 9 (3) (2014) 602-613 |
| Insight into the Interactions between Novel Coumarin Derivatives and Human A3 Adenosine Receptors ChemMedChem 9 (10) (2014) 2245-2253 |
| Nonlinear Dimensionality Reduction for Visualizing Toxicity Data: Distance‐Based Versus Topology‐Based Approaches ChemMedChem 9 (5) (2014) 1047-1059 |
| Design of a General‐Purpose European Compound Screening Library for EU‐OPENSCREEN ChemMedChem 9 (10) (2014) 2309-2326 |
| Virtualizing the p-ANAPL library: a step towards drug discovery from African medicinal plants PLoS One 9 (3) (2014) e90655 |
| Cyclotide structure–activity relationships: qualitative and quantitative approaches linking cytotoxic and anthelmintic activity to the clustering of physicochemical forces PloS one 9 (3) (2014) e91430 |
| Sequential Application of Ligand and Structure Based Modeling Approaches to Index Chemicals for Their hH 4 R Antagonism PloS one 9 (10) (2014) e109340 |
| Structural probing of off-target G protein-coupled receptor activities within a series of adenosine/adenine congeners PloS one 9 (5) (2014) e97858 |
| Can we disrupt the sensing of honey bees by the bee parasite Varroa destructor? PloS one 9 (9) (2014) e106889 |
| In silico analysis reveals sequential interactions and protein conformational changes during the binding of chemokine CXCL-8 to its receptor CXCR1 PloS one 9 (4) (2014) e94178 |
| Broad cross-reactive epitopes of the H5N1 influenza virus identified by murine antibodies against the A/Vietnam/1194/2004 hemagglutinin PloS one 9 (6) (2014) e99201 |
| Biosynthesis of Taxadiene in Saccharomyces cerevisiae: selection of geranylgeranyl diphosphate synthase directed by a computer-aided docking strategy PloS one 9 (10) (2014) e109348 |
| Towards an Understanding of Mesocestoides vogae Fatty Acid Binding Proteins’ Roles PloS one 9 (10) (2014) e111204 |
| An high-throughput in vivo screening system to select H3K4-specific histone demethylase inhibitors PloS one 9 (1) (2014) e86002 |
| The “Gate Keeper” Role of Trp222 Determines the Enantiopreference of Diketoreductase toward 2-Chloro-1-Phenylethanone PloS one 9 (7) (2014) e103792 |
| Biochemical characterization of quinolinic acid phosphoribosyltransferase from Mycobacterium tuberculosis H37Rv and inhibition of its activity by pyrazinamide PloS one 9 (6) (2014) e100062 |
| Synthesis and properties of a selective inhibitor of homeodomain–interacting protein kinase 2 (HIPK2) PloS one 9 (2) (2014) e89176 |
| Sequence Specific Binding of Beta Carboline Alkaloid Harmalol with Deoxyribonucleotides: Binding Heterogeneity, Conformational, Thermodynamic and Cytotoxic Aspects PloS one 9 (9) (2014) e108022 |
| 3-O-galloylated procyanidins from Rumex acetosa L. inhibit the attachment of influenza A virus PloS one 9 (10) (2014) e110089 |
| A dynamic view of molecular switch behavior at serotonin receptors: implications for functional selectivity PloS one 9 (10) (2014) e109312 |
| A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility PloS one 9 (12) (2014) e115872 |
| Influence of the hinge region and its adjacent domains on binding and signaling patterns of the thyrotropin and follitropin receptor PloS one 9 (10) (2014) e111570 |
| A computational approach to evaluate the androgenic affinity of iprodione, procymidone, vinclozolin and their metabolites PloS one 9 (8) (2014) e104822 |
| Molecular Interaction Mechanism between 2-Mercaptobenzimidazole and Copper-Zinc Superoxide Dismutase PloS one 9 (8) (2014) e106003 |
| A novel acylaminoimidazole derivative, WN1316, alleviates disease progression via suppression of glial inflammation in ALS mouse model PloS one 9 (1) (2014) e87728 |
| A novel bifunctional hybrid with marine bacterium alkaline phosphatase and Far Eastern holothurian mannan-binding lectin activities PloS one 9 (11) (2014) e112729 |
| Acetobixan, an inhibitor of cellulose synthesis identified by microbial bioprospecting PloS one 9 (4) (2014) e95245 |
| In silico identification and evaluation of leads for the simultaneous inhibition of protease and helicase activities of HCV NS3/4A protease using complex based pharmacophore mapping and virtual screening PloS one 9 (2) (2014) e89109 |
| Discovery of Triterpenoids as Reversible Inhibitors of α/β-hydrolase Domain Containing 12 (ABHD12) PloS one 9 (5) (2014) e98286 |
| Distant homology modeling of LCAT and its validation through in silico targeting and in vitro and in vivo assays PloS one 9 (4) (2014) e95044 |
| Scaffold hopping of potential anti-tumor agents by WEGA: a shape-based approach MedChemComm 5 (6) (2014) 737-741 |
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| O-and N-Substituted derivatives of planetol as valuable bioactive compounds Asian Journal of Chemistry 26 (4) (2014) 1151 |
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| Potential of plant alkaloids as dengue ns3 protease inhibitors: Molecular docking and simulation approach Bangladesh Journal of Pharmacology 9 (3) (2014) 262-267 |
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| Thiazide-like diuretic drug metolazone activates human pregnane X receptor to induce cytochrome 3A4 and multidrug-resistance protein 1 Biochemical pharmacology 92 (2) (2014) 389-402 |
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| The Nuclear Magnetic Resonance Solution Structure of the Synthetic AhPDF1. 1b Plant Defensin Evidences the Structural Feature within the γ-Motif Biochemistry 53 (49) (2014) 7745-7754 |
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| Enzymatic and structural characterization of an archaeal thiamin phosphate synthase Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1844 (4) (2014) 803-809 |
| Structural and functional analysis of hydroxynitrile lyase from Baliospermum montanum with crystal structure, molecular dynamics and enzyme kinetics Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1844 (12) (2014) 2059-2067 |
| Probing selected structural regions in the secreted phospholipase A 2 from Arabidopsis thaliana for their impact on stability and activity Biochimie 101 (2014) 60-66 |
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| A 7-dimethylallyl tryptophan synthase from a fungal Neosartorya sp.: Biochemical characterization and structural insight into the regioselective prenylation Bioorganic & medicinal chemistry 22 (8) (2014) 2517-2528 |
| Discovery of simplified N 2-substituted pyrazolo [3, 4-d] pyrimidine derivatives as novel adenosine receptor antagonists: Efficient synthetic approaches, biological evaluations and molecular docking studies Bioorganic & medicinal chemistry 22 (5) (2014) 1751-1765 |
| Novel quinuclidinyl heteroarylcarbamate derivatives as muscarinic receptor antagonists Bioorganic & medicinal chemistry 22 (13) (2014) 3478-3487 |
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| Structure–activity relationship study, target identification, and pharmacological characterization of a small molecular IL-12/23 inhibitor, APY0201 Bioorganic & medicinal chemistry 22 (11) (2014) 3021-3029 |
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| Design, synthesis, and structure–activity relationships of a series of novel N-aryl-2-phenylcyclopropanecarboxamide that are potent and orally active orexin receptor antagonists Bioorganic & medicinal chemistry 22 (21) (2014) 6071-6088 |
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| Synthesis and evaluation of N 6-substituted apioadenosines as potential adenosine A 3 receptor modulators Bioorganic & medicinal chemistry 22 (15) (2014) 4257-4268 |
| Synthesis and highly potent hypolipidemic activity of alpha-asarone-and fibrate-based 2-acyl and 2-alkyl phenols as HMG-CoA reductase inhibitors Bioorganic & medicinal chemistry 22 (21) (2014) 5871-5882 |
| Synthesis, biological evaluation and molecular docking studies of benzyloxyacetohydroxamic acids as LpxC inhibitors Bioorganic & medicinal chemistry 22 (3) (2014) 1016-1028 |
| Flexible and biomimetic analogs of triple uptake inhibitor 4-((((3S, 6S)-6-benzhydryltetrahydro-2H-pyran-3-yl) amino) methyl) phenol: Synthesis, biological characterization, and development of a pharmacophore model Bioorganic & medicinal chemistry 22 (1) (2014) 311-324 |
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| The design and discovery of water soluble 4-substituted-2, 6-dimethylfuro [2, 3-d] pyrimidines as multitargeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents Bioorganic & medicinal chemistry 22 (14) (2014) 3753-3772 |
| Synthesis and pharmacological evaluation of optically pure, novel carbonyl guanidine derivatives as dual 5-HT 2B and 5-HT 7 receptor antagonists Bioorganic & medicinal chemistry 22 (21) (2014) 6026-6038 |
| Active compounds from a diverse library of triazolothiadiazole and triazolothiadiazine scaffolds: Synthesis, crystal structure determination, cytotoxicity, cholinesterase inhibitory activity, and binding mode analysis Bioorganic & medicinal chemistry 22 (21) (2014) 6163-6173 |
| Design, synthesis and biological evaluation of 3, 5-disubstituted 2-amino thiophene derivatives as a novel class of antitumor agents Bioorganic & medicinal chemistry 22 (18) (2014) 5097-5109 |
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| Synthesis, receptor affinity and effect on pentylenetetrazole-induced seizure threshold of novel benzodiazepine analogues: 3-Substituted 5-(2-phenoxybenzyl)-4H-1, 2, 4-triazoles and 2-amino-5-(phenoxybenzyl)-1, 3, 4-oxadiazoles Bioorganic & medicinal chemistry 22 (6) (2014) 1929-1937 |
| Discovery of a novel series of indoline carbamate and indolinylpyrimidine derivatives as potent GPR119 agonists Bioorganic & medicinal chemistry 22 (5) (2014) 1649-1666 |
| Design, synthesis and evaluation of novel tacrine-(β-carboline) hybrids as multifunctional agents for the treatment of Alzheimer’s disease Bioorganic & medicinal chemistry 22 (21) (2014) 6089-6104 |
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| Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides Bioorganic & medicinal chemistry 22 (17) (2014) 4968-4997 |
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| A bicyclic peptide scaffold promotes phosphotyrosine mimicry and cellular uptake Bioorganic & medicinal chemistry 22 (22) (2014) 6387-6391 |
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| Synthesis and biological characterization of new aryloxyindole-4, 9-diones as potent trypanosomicidal agents Bioorganic & medicinal chemistry letters 24 (16) (2014) 3919-3922 |
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| Identification of 3, 6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase Bioorganic & medicinal chemistry letters 24 (24) (2014) 5683-5687 |
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| Structure-based design and synthesis of bicyclic fused-pyridines as MEK inhibitors Bioorganic & medicinal chemistry letters 24 (11) (2014) 2555-2559 |
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| Synthesis and in vitro anti-proliferative effects of 3-(hetero) aryl substituted 3-[(prop-2-ynyloxy)(thiophen-2-yl) methyl] pyridine derivatives on various cancer cell lines Bioorganic & medicinal chemistry letters 24 (5) (2014) 1366-1372 |
| Design and optimization of highly-selective fungal CYP51 inhibitors Bioorganic & medicinal chemistry letters 24 (15) (2014) 3455-3458 |
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| Synthesis of 2H-1, 3-benzoxazin-4 (3H)-one derivatives containing indole moiety: Their in vitro evaluation against PDE4B Bioorganic & medicinal chemistry letters 24 (4) (2014) 1166-1171 |
| Development of potential selective and reversible pyrazoline based MAO-B inhibitors as MAO-B PET tracer precursors and reference substances for the early detection of Alzheimer’s disease Bioorganic & medicinal chemistry letters 24 (18) (2014) 4490-4495 |
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| HUBUNGAN KUANTITATIF STRUKTUR DAN AKTIFITAS SENYAWA TURUNAN AGLIKON CURCULIGOSIDA A SEBAGAI ANTIKANKER JFIOnline| Print ISSN 1412-1107| e-ISSN 2355-696X 7 (2) (2014) |
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| Synthesis, central nervous system activity, and structure–activity relationship of 1-aryl-6-benzyl-7-hydroxy-2, 3-dihydroimidazo [1, 2-a] pyrimidine-5 (1H)-ones Medicinal Chemistry Research 23 (9) (2014) 4221-4237 |
| Design, synthesis, in silico, and in vitro evaluation of novel pyrimidine phosphonates with cytotoxicity against breast cancer cells Medicinal Chemistry Research 23 (1) (2014) 317-328 |
| Synthesis, molecular docking and antiviral screening of novel N′-substitutedbenzylidene-2-(4-methyl-5, 5-dioxido-3-phenylbenzo [e] pyrazolo [4, 3-c][1, 2] thiazin-1 (4H)-yl) acetohydrazides Medicinal Chemistry Research 23 (6) (2014) 2930-2946 |
| Analysis of surface area features of structurally diverse molecules for Bcr/Abl kinase inhibitory activity and antiproliferative activity Medicinal Chemistry Research 23 (5) (2014) 2622-2632 |
| Synthesis, molecular docking and antibacterial evaluation of various quinoline schiff bases: labeling and biodistribution of 99mTc-2-(p-hydroxybenzylidene)-1-(quinolin-4-yl) hydrazine Medicinal Chemistry Research 23 (9) (2014) 4011-4020 |
| Molecular docking-and genetic algorithm-based approaches to produce robust 3D-QSAR models Medicinal Chemistry Research 23 (5) (2014) 2198-2206 |
| Integrating molecular docking, CoMFA analysis, and machine-learning classification with virtual screening toward identification of novel scaffolds as Plasmodium falciparum enoyl acyl carrier protein reductase inhibitor Medicinal Chemistry Research 23 (7) (2014) 3308-3326 |
| Novel non-cyclooxygenase inhibitory derivatives of naproxen for colorectal cancer chemoprevention Medicinal Chemistry Research 23 (9) (2014) 4177-4188 |
| New approaches for the synthesis of pyrazole, thiophene, thieno [2, 3-b] pyridine, and thiazole derivatives together with their anti-tumor evaluations Medicinal Chemistry Research 23 (2) (2014) 564-579 |
| A QSAR classification study on inhibitory activities of 2-arylbenzoxazoles against cholesteryl ester transfer protein Medicinal Chemistry Research 23 (4) (2014) 1878-1886 |
| Quantitative structure activity relationship and docking studies of imidazole-based derivatives as P-glycoprotein inhibitors Medicinal Chemistry Research 23 (11) (2014) 4700-4712 |
| 2D, 3D-QSAR, and pharmacophore studies on thiazolidine-4-carboxylic acid derivatives as neuraminidase inhibitors in H3N2 influenza virus Medicinal Chemistry Research 23 (3) (2014) 1447-1453 |
| Integrating virtual and biochemical screening for protein tyrosine phosphatase inhibitor discovery Methods 65 (2) (2014) 219-228 |
| Cross-reactivity analysis of T cell receptors specific for overlapping HIV-1 Nef epitopes of different lengths Microbes and Infection 16 (4) (2014) 320-327 |
| Recombinant S. cerevisiae expressing Old Yellow Enzymes from non-conventional yeasts: an easy system for selective reduction of activated alkenes Microbial cell factories 13 (1) (2014) 1 |
| Aspirin is an efficient inhibitor of quorum sensing, virulence and toxins in Pseudomonas aeruginosa Microbial pathogenesis 74 (2014) 25-32 |
| Production of acylated homoserine lactone by a novel marine strain of Proteus vulgaris and inhibition of its swarming by phytochemicals Microbiology 160 (10) (2014) 2170-2177 |
| Numerical and experimental LDL transport through arterial wall Microfluidics and nanofluidics 16 (3) (2014) 455-464 |
| Binding of pyrazole-based inhibitors to Mycobacterium tuberculosis pantothenate synthetase: Docking and MM-GB (PB) SA analysis Molecular BioSystems 10 (2) (2014) 223-239 |
| Individual Hydrogen‐Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules Molecular Informatics 33 (6‐7) (2014) 477-487 |
| AG-690/11026014, a novel PARP-1 inhibitor, protects cardiomyocytes from AngII-induced hypertrophy Molecular and cellular endocrinology 392 (1) (2014) 14-22 |
| The apoptotic initiator caspase-8: its functional ubiquity and genetic diversity during animal evolution Molecular biology and evolution (2014) msu260 |
| Lipids in cell biology: how can we understand them better? Molecular biology of the cell 25 (12) (2014) 1819-1823 |
| Comparative modeling and virtual screening for the identification of novel inhibitors for myo-inositol-1-phosphate synthase Molecular biology reports 41 (8) (2014) 5039-5052 |
| Interactions of ketoamide inhibitors on HCV NS3/4A protease target: molecular docking studies Molecular biology reports 41 (1) (2014) 337-345 |
| The selective anaplastic lymphoma receptor tyrosine kinase inhibitor ASP3026 induces tumor regression and prolongs survival in non–small cell lung cancer model mice Molecular cancer therapeutics 13 (2) (2014) 329-340 |
| An efficient multistep ligand-based virtual screening approach for GPR40 agonists Molecular diversity 18 (1) (2014) 183-193 |
| Analysis of structure-Caco-2 permeability relationships using a property landscape approach Molecular diversity 18 (3) (2014) 599-610 |
| Microwave-assisted synthesis and evaluation of acylhydrazones as potential inhibitors of bovine glutathione peroxidase Molecular diversity 18 (2) (2014) 307-322 |
| Is experimental data quality the limiting factor in predicting the aqueous solubility of druglike molecules? Molecular pharmaceutics 11 (8) (2014) 2962-2972 |
| Long-acting GLP-1 analogue in V-shaped conformation by terminal polylysine modifications Molecular pharmaceutics 11 (11) (2014) 4092-4099 |
| Comparing Multilabel Classification Methods for Provisional Biopharmaceutics Class Prediction Molecular pharmaceutics 12 (1) (2014) 87-102 |
| Highly viscous antibody solutions are a consequence of network formation caused by domain–domain electrostatic complementarities: Insights from coarse-grained simulations Molecular pharmaceutics 12 (1) (2014) 127-139 |
| FK506-binding protein 12 modulates μ-opioid receptor phosphorylation and protein kinase Cε–dependent signaling by its direct interaction with the receptor Molecular pharmacology 85 (1) (2014) 37-49 |
| Robust hydrolysis of prostaglandin glycerol esters by human monoacylglycerol lipase (MAGL) Molecular pharmacology 86 (5) (2014) 522-535 |
| Mutation of Cys242 of human monoacylglycerol lipase disrupts balanced hydrolysis of 1-and 2-monoacylglycerols and selectively impairs inhibitor potency Molecular pharmacology 85 (3) (2014) 510-519 |
| Identification of overlapping but differential binding sites for the high-affinity CXCR3 antagonists NBI-74330 and VUF11211 Molecular pharmacology 85 (1) (2014) 116-126 |
| Chemo-and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review Natural product reports 31 (11) (2014) 1585-1611 |
| Probing for improved potency and in vivo bioavailability of excitatory amino acid transporter subtype 1 inhibitors UCPH-101 and UCPH-102: Design, synthesis and pharmacological evaluation of substituted 7-biphenyl analogs Neurochemical research 39 (10) (2014) 1964-1979 |
| Aminorex, a metabolite of the cocaine adulterant levamisole, exerts amphetamine like actions at monoamine transporters Neurochemistry international 73 (2014) 32-41 |
| Tegaserod mimics the neurostimulatory glycan polysialic acid and promotes nervous system repair Neuropharmacology 79 (2014) 456-466 |
| Density functional theory calculations of catalytic mechanistic pathways for the formation of O 2 involving triazolylidene iridium complexes New Journal of Chemistry 38 (9) (2014) 4060-4070 |
| Identification of VDR antagonists among nuclear receptor ligands using virtual screening Nuclear receptor research 1 (2014) |
| YB-1 expression promotes epithelial-to-mesenchymal transition in prostate cancer that is inhibited by a small molecule fisetin Oncotarget 5 (9) (2014) 2462-2474 |
| New Approaches for the Use of Acetoacetanilide in the Synthesis of Thiophenes and Their Fused Derivatives with Anti-Tumor Activity Open Access Library Journal 1 (08) (2014) 1 |
| The exploration of interaction studies of smaller size, mostly ignored yet intrinsically inestimable molecules towards BSA; An example of STD and DOSY NMR Open Chemistry 12 (3) (2014) 332-340 |
| Utility of 2-Methyl-quinazolin-4 (3H)-one in the Synthesis of Heterocyclic Compounds with Anticancer Activity Open Journal of Medicinal Chemistry 2014 (2014) |
| Design, synthesis and evaluation of novel tacrine–rhein hybrids as multifunctional agents for the treatment of Alzheimer's disease Organic & biomolecular chemistry 12 (5) (2014) 801-814 |
| Remote conformational control of a molecular switch via methylation and deprotonation Organic & biomolecular chemistry 12 (46) (2014) 9384-9388 |
| Theoretical insight into the antioxidant properties of melatonin and derivatives Organic & biomolecular chemistry 12 (39) (2014) 7820-7827 |
| Synthesis, docking study and antitumor evaluation of certain newly synthesized pyrazolo [3, 4-d] pyrimidine derivatives Organic Chemistry: An Indian Journal 10 (4) (2014) 157-167 |
| The potential of anti-malarial compounds derived from African medicinal plants, part III: an in silico evaluation of drug metabolism and pharmacokinetics profiling Organic and medicinal chemistry letters 4 (1) (2014) 1 |
| Sterhirsutins A and B, Two new heterodimeric sesquiterpenes with a new skeleton from the culture of Stereum hirsutum collected in tibet plateau Organic letters 16 (19) (2014) 5092-5095 |
| Membrane interaction of bound ligands contributes to the negative binding cooperativity of the EGF receptor PLoS Comput Biol 10 (7) (2014) e1003742 |
| Machine learning estimates of natural product conformational energies PLoS Comput Biol 10 (1) (2014) e1003400 |
| Assembly of Nsp1 nucleoporins provides insight into nuclear pore complex gating PLoS Comput Biol 10 (3) (2014) e1003488 |
| Computational studies on sirtuins from Trypanosoma cruzi: structures, conformations and interactions with phytochemicals PLoS Negl Trop Dis 8 (2) (2014) e2689 |
| The 3D Modeling and Characterization of Wild Type and Mutated Plasmodium falciparum Cytochrome b: A Computational Approach Pakistan Journal of Zoology 46 (3) (2014) |
| Effect of bile salt hydrolase inhibitors on a bile salt hydrolase from Lactobacillus acidophilus Pathogens 3 (4) (2014) 947-956 |
| Structural models for the design of novel antiviral agents against Greek Goat Encephalitis PeerJ 2 (2014) e664 |
| Assessment of Physical Stability of an Antibody Drug Conjugate by Higher Order Structure Analysis: Impact of Thiol -Maleimide Chemistry Pharm. Res. 31 (2014) 1710-1723 doi |
| Concentration Dependent Viscosity of Monoclonal Antibody Solutions: Explaining Experimental Behavior in Terms of Molecular Properties Pharm. Res. 31 (2014) 3161-3178 doi |
| Antitumor activity of Rhein involving interactions with DNA molecule PharmaNutrition 2 (3) (2014) 79 |
| Computational analysis of benzofuran-2-carboxlic acids as potent Pim-1 kinase inhibitors Pharmaceutical biology 52 (9) (2014) 1170-1178 |
| Critical evaluation of human oral bioavailability for pharmaceutical drugs by using various cheminformatics approaches Pharmaceutical research 31 (4) (2014) 1002-1014 |
| The hydration of serine: multipole moments versus point charges Physical Chemistry Chemical Physics 16 (9) (2014) 4122-4134 |
| The catalytic formation of leukotriene C 4: a critical step in inflammatory processes Physical Chemistry Chemical Physics 16 (30) (2014) 16284-16289 |
| Computational investigations on the catalytic mechanism of maleate isomerase: the role of the active site cysteine residues Physical Chemistry Chemical Physics 16 (24) (2014) 12462-12474 |
| Ligand binding and homology modelling of insect odorant‐binding proteins Physiological Entomology 39 (3) (2014) 183-198 |
| Phenolcarboxylic acids from medicinal herbs exert anticancer effects through disruption of COX-2 activity Phytomedicine 21 (11) (2014) 1473-1482 |
| Urease inhibitory activity of ursane type sulfated saponins from the aerial parts of Zygophyllum fabago Linn Phytomedicine 21 (3) (2014) 379-382 |
| Molecular models and mutational analyses of plant specifier proteins suggest active site residues and reaction mechanism Plant molecular biology 84 (1-2) (2014) 173-188 |
| Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus Proceedings of the National Academy of Sciences 111 (11) (2014) 4067-4072 |
| Expression and glycoengineering of functionally active heteromultimeric IgM in plants Proceedings of the National Academy of Sciences 111 (17) (2014) 6263-6268 |
| Computational design of a self-assembling symmetrical β-propeller protein Proceedings of the National Academy of Sciences 111 (42) (2014) 15102-15107 |
| An alcohol-sensing site in the calcium-and voltage-gated, large conductance potassium (BK) channel Proceedings of the National Academy of Sciences 111 (25) (2014) 9313-9318 |
| Green‐lighting green fluorescent protein: Faster and more efficient folding by eliminating a cis–trans peptide isomerization event Protein Science 23 (4) (2014) 400-410 |
| Thermodynamic stability and flexibility characteristics of antibody fragment complexes Protein and peptide letters 21 (8) (2014) 752-765 |
| High resolution crystal structure of Clostridium propionicum β‐alanyl‐CoA: ammonia lyase, a new member of the “hot dog fold” protein superfamily Proteins: Structure, Function, and Bioinformatics 82 (9) (2014) 2041-2053 |
| Blind prediction performance of RosettaAntibody 3.0: grafting, relaxation, kinematic loop modeling, and full CDR optimization Proteins: Structure, Function, and Bioinformatics 82 (8) (2014) 1611-1623 |
| Molecular dynamics simulations of the auxin‐binding protein 1 in complex with indole‐3‐acetic acid and naphthalen‐1‐acetic acid Proteins: Structure, Function, and Bioinformatics 82 (10) (2014) 2744-2755 |
| Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site Proteins: Structure, Function, and Bioinformatics 82 (12) (2014) 3335-3346 |
| Specificity of a protein–protein interface: Local dynamics direct substrate recognition of effector caspases Proteins: Structure, Function, and Bioinformatics 82 (4) (2014) 546-555 |
| High‐resolution modeling of antibody structures by a combination of bioinformatics, expert knowledge, and molecular simulations Proteins: Structure, Function, and Bioinformatics 82 (8) (2014) 1624-1635 |
| Improving the accuracy of protein stability predictions with multistate design using a variety of backbone ensembles Proteins: Structure, Function, and Bioinformatics 82 (5) (2014) 771-784 |
| Assessment of fully automated antibody homology modeling protocols in molecular operating environment Proteins: Structure, Function, and Bioinformatics 82 (8) (2014) 1599-1610 |
| Molecular mechanism of action of K (D) PT as an IL-1RI antagonist for the treatment of rhinitis RSC Advances 4 (89) (2014) 48741-48749 |
| Expanding the scaffold for bacterial RNA polymerase inhibitors: design, synthesis and structure–activity relationships of ureido-heterocyclic-carboxylic acids RSC Advances 4 (5) (2014) 2177-2194 |
| All-atom molecular dynamics simulation of HPMA polymers RSC Advances 4 (14) (2014) 7003-7012 |
| Dual mechanism of HIV-1 integrase and RNase H inhibition by diketo derivatives–a computational study RSC Advances 4 (73) (2014) 38672-38681 |
| Classification study of solvation free energies of organic molecules using machine learning techniques RSC Advances 4 (106) (2014) 61624-61630 |
| Phenylalanine iminoboronates as new phenylalanine hydroxylase modulators RSC Advances 4 (105) (2014) 61022-61027 |
| Fragment-based drug discovery and protein-protein interactions Res Rep Biochem 4 (2014) 13-26 |
| Essential Set of Molecular Descriptors for ADME Prediction in Drug and Environmental Chemical Space Research (2014) |
| The phosphorylation of HIV-1 Gag by atypical protein kinase C facilitates viral infectivity by promoting Vpr incorporation into virions Retrovirology 11 (1) (2014) 1 |
| Computational approaches to the design of novel 5-HT6 R ligands Reviews in the Neurosciences 25 (3) (2014) 451-467 |
| ConMedNP: a natural product library from Central African medicinal plants for drug discovery Rsc Advances 4 (1) (2014) 409-419 |
| Quantitative structure and bioactivity relationship study on HCV NS5B polymerase inhibitors SAR and QSAR in Environmental Research 25 (1) (2014) 1-15 |
| Computational models on quantitative prediction of bioactivity of HIV-1 integrase 3’processing inhibitors SAR and QSAR in Environmental Research 25 (9) (2014) 729-746 |
| Synthesis, antifeedant activity against Coleoptera and 3D QSAR study of alpha-asarone derivatives SAR and QSAR in Environmental Research 25 (3) (2014) 173-188 |
| Rational design of InhA inhibitors in the class of diphenyl ether derivatives as potential anti-tubercular agents using molecular dynamics simulations SAR and QSAR in Environmental Research 25 (6) (2014) 473-488 |
| Drug Discovery of β-Secretase Inhibitors Based on Quantum Chemical Interactions for the Treatment of Alzheimer’s Disease SOJ Pharmacy & Pharmaceutical Sciences 1 (2014) 1-8 |
| Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator Science 344 (6179) (2014) 58-64 |
| A molecular modeling study on full-length insulin: insight into initial events of amyloid formation Structural Chemistry 25 (4) (2014) 1175-1185 |
| Synthesis of C4-Linked C0-and C2-Imidazole 2′-Deoxyribonucleoside Phosphoramidites and Imidazole Base-Pairing Effects on DNA Synthesis 46 (20) (2014) 2815-2825 |
| First total synthesis of prunustatin A Tetrahedron Letters 55 (6) (2014) 1175-1177 |
| Formation of activity cliffs is accompanied by systematic increases in ligand efficiency from lowly to highly potent compounds The AAPS journal 16 (2) (2014) 335-341 |
| Anti-trypanosomal activity of diarylheptanoids isolated from the bark of Alnus japonica The American journal of Chinese medicine 42 (05) (2014) 1245-1260 |
| BCR-ABL residues interacting with ponatinib are critical to preserve the tumorigenic potential of the oncoprotein The FASEB Journal 28 (3) (2014) 1221-1236 |
| Structure-Based Design for Medicinal Chemists The Handbook of Medicinal Chemistry: Principles and Practice (2014) 96 |
| Vizantin inhibits endotoxin-mediated immune responses via the TLR 4/MD-2 complex The Journal of Immunology 193 (9) (2014) 4507-4514 |
| Depolarized inactivation overcomes impaired activation to produce DRG neuron hyperexcitability in a NaV1. 7 mutation in a patient with distal limb pain The Journal of Neuroscience 34 (37) (2014) 12328-12340 |
| Evaluation of Interactions between Urokinase Plasminogen and Inhibitors Using Molecular Dynamic Simulation and Free-Energy Calculation The Journal of Physical Chemistry A 118 (39) (2014) 9113-9119 |
| Distance geometry protocol to generate conformations of natural products to structurally interpret ion mobility-mass spectrometry collision cross sections The Journal of Physical Chemistry B 118 (48) (2014) 13812-13820 |
| Binding Mode Investigations on the Interaction of Lead (II) Acetate with Human Chorionic Gonadotropin The Journal of Physical Chemistry B 118 (32) (2014) 9644-9650 |
| Multi-conformer ensemble docking to difficult protein targets The Journal of Physical Chemistry B 119 (3) (2014) 1026-1034 |
| Molecular Mechanism of Lead-Induced Superoxide Dismutase Inactivation in Zebrafish Livers The Journal of Physical Chemistry B 118 (51) (2014) 14820-14826 |
| New myxothiazols from the predatory bacterium Myxococcus fulvus The Journal of antibiotics 67 (7) (2014) 519-525 |
| Plant flavonol isorhamnetin attenuates chemically induced inflammatory bowel disease via a PXR-dependent pathway The Journal of nutritional biochemistry 25 (9) (2014) 923-933 |
| von Willebrand disease type 2A phenotypes IIC, IID and IIE: A day in the life of shear-stressed mutant von Willebrand factor Thromb Haemost 112 (1) (2014) 96-108 |
| Prevalence, tumorigenic role, and biochemical implications of rare BRAF alterations Thyroid 24 (5) (2014) 809-819 |
| Reductive Amination Without the Aldehyde: Use of a Ketolactol as an Aldehyde Surrogate Topics in Catalysis 57 (17-20) (2014) 1335-1341 |
| Platycodin D inhibits tumor growth by antiangiogenic activity via blocking VEGFR2-mediated signaling pathway Toxicology and applied pharmacology 281 (1) (2014) 118-124 |
| Non-specific SIRT inhibition as a mechanism for the cytotoxicity of ginkgolic acids and urushiols Toxicology letters 229 (2) (2014) 374-380 |
| Chikungunya virus was isolated in Thailand, 2010 Virus genes 49 (3) (2014) 485-489 |
| Multi-task neural networks for QSAR predictions arXiv preprint arXiv:1406.1231 (2014) |
| МОДЕЛИРОВАНИЕ 3D ФАРМАКОФОРОВ В МОЛЕКУЛАХ ПРОИЗВОДНЫХ 5, 7-ДИМЕТИЛ-6-ФЕНИЛАЗО3Н-ТИАЗОЛО [4, 5-B] ПИРИДИН-2-ОНА ЖУРНАЛ ОРГАНІЧНОЇ ТА ФАРМАЦЕВТИЧНОЇ ХІМІЇ 12 (1) (2014) 60-68 |
| Моделювання 3D фармакофорів у молекулах похідних 5, 7-диметил-6-фенілазо-3Н-тіазоло [4, 5-b] піридин-2-ону Журнал органічної та фармацевтичної хімії (1) (2014) 60-68 |
| Роль пептидной связи в реализации биологической активности коротких пептидов Клеточные технологии в биологии и медицине (4) (2014) 237-240 |
| ドッキングスタディとボルツマン分布を組み合わせた薬剤耐性変異評価法の開発 ケモインフォマティクス討論会予稿集 2014 (0) (2014) P06-P06 |
| 微囊藻毒素衍生物的化学酶法合成及活性评价 中国生物化学与分子生物学报 30 (7) (2014) 706-713 |
| 天然物に対する特異的モノクローナル抗体を用いた生薬成分の機能解析 薬学雑誌. 乙号 134 (10) (2014) 1061-1067 |
| Supporting Information Can Amphipathic Helices Influence CNS Antinociceptive Activity of Glycopeptides Related to β-Endorphin? |
| Experimental and Computational Methods for Identification of Novel Fungal Histone Acetyltransferase Rtt109 Inhibitors PhD Thesis, UNIVERSITY OF MINNESOTA (2014) |
| NMR and computational methods in the structural and dynamic characterization of ligand-receptor interactions Protein Conformational Dynamics Springer (2014) 271-304 |
| Introduction to molecular similarity and chemical space Foodinformatics Springer (2014) 1-81 |
| Chemoinformatics approach for the design and screening of focused virtual libraries Practical Chemoinformatics Springer (2014) 93-131 |
| Property-enriched fragment descriptors for adaptive QSAR PhD Thesis, Strasbourg (2014) |
| Virtualizing the p-ANAPL Library: A Step towards Drug Discovery (2014) |
| Active Site-Directed Pose Prediction Programs for Efficient Filtering of Molecules Practical Chemoinformatics Springer (2014) 271-316 |
| Method of treating lung cancer from Google Patents (2014) |
| Dronedarone, an Amiodarone Analog with (2014) |
| Integration of automated workflow in chemoinformatics for drug discovery Practical Chemoinformatics Springer (2014) 451-499 |
| Inhibition of Parasitic Farnesyl Diphosphate Synthase: Structural and Thermodynamic Studies (2014) |
| Machine learning methods in chemoinformatics for drug discovery Practical Chemoinformatics Springer (2014) 133-194 |
| Characterizing Ligand Interactions in Wild-type and Mutated HIV-1 Proteases |
| Open-Source Tools, Techniques, and Data in Chemoinformatics Practical Chemoinformatics Springer (2014) 1-92 |
| FGF21 polypeptides comprising two or more mutations and uses thereof from Google Patents (2014) |
| Human IL-23 antigen binding proteins from Google Patents (2014) |
| Phosphonate derivatives and methods of use thereof in the treatment of alzheimer's disease from Google Patents (2014) |
| Étude de l’action du PBRM, un inhibiteur de la 17β-hydroxystéroïde déshydrogénase (17β-HSD) type (2014) |
| Drug Metabolism Prediction In Drug Metabolism Prediction; John Wiley & Sons (2014) |
| Humanized antibodies against human interferon-alpha from Google Patents (2014) |
| AROUND THE MACROLIDE: 3D EFFECT ON CELLULAR PHARMACOKINETICS |
| Practical Chemoinformatics In Practical Chemoinformatics; Springer (2014) |
| Fc-containing molecules exhibiting predictable, consistent, and reproducible glycoform profiles from Google Patents (2014) |
| Lipophilicity in computer-aided drug design: new tools and applications PhD Thesis, University of Geneva (2014) |
| Neuroprotective multifunctional antioxidants and their monofunctional analogs from Google Patents (2014) |
| Method of generating an immune response in a subject using fusion proteins comprising CD4 minimal modules and HIV Tat scaffold polypeptides that are capable of binding to the HIV envelope and exposing cryptic neutralization epitopes from Google Patents (2014) |
| Application and Development of Computational Methods for Ligand-Based Virtual Screening PhD Thesis, Universitäts-und Landesbibliothek Bonn (2014) |
| Design and synthesis of some new purine-dione derivatives of potential anti-inflammatory activity |
| Design and synthesis of new pyrido [2, 3-d] pyrimidine-1, 4-dione derivatives as anti-inflammatory agents |
| Electronic Sculpting of ligand-GPCR subtype selectivity: the case of angiotensin II |
| A Small Molecule Compound Targeting STAT3 DNA-Binding Domain Inhibits Cancer Cell Proliferation, Migration, and Invasion (2014) |
| Synthesis of 2-[{4-(t-amino-1-yl) but-2-yn-1-yl} oxy]-1, 3-benzothiazole derivatives as H3-antagonists |
| 1. 膜貫通タンパク質 LPA1 受容体のホモロジーモデリングの構築 2. 仮想的な立体構造から LPA/LPA1 の原子レベルの相互作用を解析し, 分子構造変換が及ぼすシグナル伝達機構の考察 3. 分子シュミレーションの検証: LPA1 変異体のアンタゴニスト活性の比較実験 4. 大規模インシリコ阻害薬探索スクリーニングに適用可能なシステムの構築 |
| Antagonist antibodies and their fab fragments against GPVI and uses thereof from Google Patents (2014) |
| Genetic and biochemical dissection of complex evolved traits in bacteria PhD Thesis (2014) |
| Multi-faceted Structure-Activity Relationship Analysis Using Graphical Representations PhD Thesis, Universitäts-und Landesbibliothek Bonn (2014) |
| Synthesis and pharmacological characterization of novel N & O containing heterocyclic compounds as potential therapeutic agents PhD Thesis (2014) |
| PH-responsive amphiphilic macromolecules for anticancer drug and siRNA delivery PhD Thesis, Rutgers University-Graduate School-New Brunswick (2014) |
| Identification of Small Molecules against Botulinum Neurotoxin B Binding to Neuronal Cells at Ganglioside GT1b Binding Site with Low to Moderate Affinity DTIC Document (2014) |
| Crystal structure from Google Patents (2014) |
| Exo-specific amylase polypeptides, nucleic acids encoding those polypeptides and uses thereof from Google Patents (2014) |
| Remediating agitation-induced antibody aggregation by eradicating exposed hydrophobic motifs MAbs 6 Taylor & Francis (2014) 1540-1550 |
| Complying and curating public bioassay data for chemical toxicity and anxiety drug discovery studies PhD Thesis, Rutgers University-Camden Graduate School (2014) |
| CYTOCHROME P450 BM3 MEDIATED STEREOSELECTIVE HYDROXYLATION OF TESTOSTERONE; ENGINEERED CYTOCHROME P450 BM3 MUTANTS AS BIOCATALYSTS FOR METABOLITE PRODUCTION: APPLICATIONS IN BIOTECHNOLOGY AND TOXICOLOGY (2014) 91 |
| Structural Probing of Off-Target G Protein-Coupled Receptor Activities within a Series of (2014) |
| “Click” Dendrimers as Anti-Inflammatory Agents: With Insights into their Binding from Molecular Modeling Studies (2014) |
| Studies on Extracellular Signal-Regulated Kinase-1/2 (ERK1/2) Function and Identification of Small Molecule Inhibitors that Selectively Target ERK1/2 Regulation of Activator Protein-1 (AP-1) Function in Cancer Cell Proliferation (2014) |
| In silico Analysis of Iduronate 2 Sulfatase Mutations in Colombian Patients with Hunter Syndrome (MPSII) Advances in Computational Biology Springer (2014) 205-212 |
| Synthesis and computer-assisted design of mitochondrial electron transport-chain inhibitors as antimalarial agents (2014) |
| KOMPIUTERINĖ VIZUALIZACIJA MOKANT CHEMIJOS: VIZUALIZACIJOS PRIEMONIŲ IR OBJEKTŲ ANALITINĖ APŽVALGA |
| Computational and experimental prediction of human C-type lectin receptor druggability (2014) |
| KOMPIUTERINĖ VIZUALIZACIJA KAIP KOGNITYVINIŲ PROCESŲ STIMULIAVIMO PRIEMONĖ GAMTAMOKSLINIO UGDYMO PROCESE |
| Risk assessment for drug degradation products using physiologically-based pharmacokinetic models (2014) |
| Acceleration and Verification of Virtual High-throughput Multiconformer Docking (2014) |
| Quantitative structure activity relationship modeling of serotonin type-6 receptor antagonists PhD Thesis, Rutgers University-Camden Graduate School (2014) |
| Leucine-rich repeat kinase 2 (LRRK2) inhibitors (2014) |
| Catalyst-controlled aliphatic ch oxidations from Google Patents (2014) |
| Homology modeling of LAMMER kinase of Plasmodium falciparum and to identify the interaction of crtical resdiues involved in binding of ATP by Molecular docking simulation study |
| Pore Selectivity and Gating of Arabidopsis Nodulin 26 Intrinsic Proteins and Roles in Boric acid Transport in Reproductive Growth (2014) |
| Synthesis and evaluation of new pyrazoline and thiazolidinone derivatives as anticancer activity |
| Examining the Functional Consequences of the Flexibility of Aminoglycoside Phosphotransferase (3’)-IIIa (2014) |
| Methods and compositions of targeted drug development from Google Patents (2014) |
| Structure and Dynamics of Apical Membrane Antigen 1 from Plasmodium falciparum FVO (2014) |
| Regulation of Skeletal Muscle Carbohydrate Metabolism During Mammalian Hibernation PhD Thesis, Carleton University Ottawa (2014) |
| Handbook of therapeutic antibodies In Handbook of therapeutic antibodies; John Wiley & Sons (2014) |
| Small molecule compounds targeting DNA binding domain of STAT3 for inhibition of tumor growth and metastasis PhD Thesis, faculty of the University Graduate School in partial fulfillment of the requirements for the degree Doctor of Philosophy in the Department of Pharmacology and Toxicology, Indiana University (2014) |
| Fgf21 mutants and uses thereof from Google Patents (2014) |
| Integrative Systems Approaches Towards Brain Pharmacology and Polypharmacology PhD Thesis, Universitäts-und Landesbibliothek Bonn (2014) |
| Système VEGF/VEGFR: conception et évaluation de molécules ciblées et régulation potentielle par les métaux PhD Thesis, Université René Descartes-Paris V (2014) |
| Posada a punt i implementació de mètodes cromatogràfics per a l’anàlisi d’aldehids i cetones, precursors d’ozó troposfèric, en mostres d’emissions de vehicles i aplicació de metodologies de relació quantitativa estructura química-retenció cromatogràfica (QSRR) a l’anàlisi, mitjançant HPLC-UV, d’aldehids i cetones DNPH-derivatitzats (2014) |
| Applications and Improvements in the Molecular Modeling of Protein and Ligand Interactions (2014) |
| US Army Research Laboratory (ARL) XPairIt Simulator for Peptide Docking and Analysis DTIC Document (2014) |
| A novel role for the fibrinogen Asn-Gly-Arg (NGR) motif in platelet function (2014) |
| FGF 21 polypeptides comprising two or more mutations and uses thereof from Google Patents (2014) |
| Antibodies to Plasminogen Activator Inhibitor-1 (PAI-1) and Uses Thereof from Google Patents (2014) |
| XIX Congreso Nacional de Ingeniería Bioquímica |
| Hybrid alpha-amylases from Google Patents (2014) |
| Computational Insights into the Accuracy and Editing of Aminoacyl tRNA Synthetases (2014) |
| MICROTUBULE DEPOLYMERIZING COMPOUNDS AS NOVEL POTENTIAL ANTIVASCULAR AGENTS IN CANCER THERAPY (2014) |
| GIANT BASAL-CELL CARCINOMA OF THE FACE: SURGICAL MANAGEMENT AND RECONSTRUCTION CHALLENGES (2014) |
| Mixed-integer linear programming robust regression with feature selection PhD Thesis, Applied Sciences: (2014) |
| Molecular Docking Study of 5-substituted-8-methyl-2H-pyrido [1, 2-a] pyrimidine-2, 4 (3H)–diones As Inhibitors of Basilluspasteurii urease |
| Lpa2 receptor-specific benzoic acid derivatives from Google Patents (2014) |
| Homology Modeling and Docking Studies of MPT 51 Protein in Mycobacterium leprae |
| Computer-Aided Modeling and Ligand-Binding Dynamics of Lysophosphatidic Acid Receptor 1: The Signature Receptor of Neuropathic Pain (2014) |
| 3D-QSAR analysis on 6-(1-benzyl-1H-pyrrol-2-yl)-2, 4-dioxo-5-hexenoic acid derivatives as recombinant HIV-1 integrase inhibitors |
| Toxicology and Pharmacology Investigation of 2-Phenylaminophenylacetic Acid Derived NSAIDs: Implication of Chemical Structure on Biological Outcomes PhD Thesis (2014) |
| Optimal Maize Loci from Google Patents (2014) |
| Ligandos selectivos de G-quadruplexos de ADN para a terapia do cancro: derivados de indolo [3, 2-b] quinolinas PhD Thesis (2014) |
| Homology Modeling, Molecular Dynamic Simulation and Phylogenetic Analysis of Human Transient Receptor Potential Melastatin 1 (TRPM1) |
| Structure, Function and Regulation of Two Isoforms of Glutamine Synthetase from Soybean Root Nodules (2014) |
| Optimal Soybean Loci from Google Patents (2014) |
| PREDICCIÓN COMPUTACIONAL DE ASPECTOS FUNCIONALES Y ESTRUCTURALES DE LA PROTEÍNA FTDG_01454 DE FRANCISELLA TULARENSIS |
| Method for inhibiting growth of cancer cells from Google Patents (2014) |
| New furobenzopyrones: Synthesis, antimicrobial and photochemotherapeutic evaluation, QSAR and molecular docking studies |
| 2d pharmacophore query generation International Symposium on Bioinformatics Research and Applications Springer (2014) 289-300 |
| Inhibitors Targeting the DNA-Binding Domain of Human STAT3 for Treatment of Metastatic Cancers from Google Patents (2014) |
| World Journal of Pharmaceutical Research (2014) |
| Computational Studies into Iron-Based Biocatalysis (2014) |
| Characterization of anxiolytic compounds from Annona muricata leaf extract: a computational and experimental approach PhD Thesis, Rutgers University-Camden Graduate School (2014) |
| A Molecular Mechanics Study of Natural Product Polyphenols Interacting with beta-Amyloid (2014) |
| FGF21 mutant fusion polypeptides and uses thereof from Google Patents (2014) |
| Xylose reductase mutants and uses thereof from Google Patents (2014) |
| Prion and Prion-like Diseases in Humans |
| Probable Interaction of Reduced Glutathione with NF-KB Family Proteins Trim down NF-KB Mediated Expression of MMP-9: An in Silico Analysis (2014) |
| Modeling of Membrane Proteins Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes Springer (2014) 357-431 |
| Inhibition of SIRT1 Alters Apoptotic and Sex related genes in Zebrafish (Danio rerio) (2014) |
| The In Silico Search for a Novel Lithium Receptor PhD Thesis (2014) |
| Compositions and methods for inhibition of hepatocyte growth factor receptor c-Met signaling from Google Patents (2014) |
| Computational Methods Generating High-Resolution Views of Complex Structure-Activity Relationships PhD Thesis, Universitäts-und Landesbibliothek Bonn (2014) |
| Untersuchung der Substratspezifität der tRNA-Guanin-Transglykosylase (TGT) aus Eukaryoten und Prokaryoten und Charakterisierung der eukaryotischen TGT (2014) |
| Programação genética PhD Thesis (2014) |
| Chimeric IL-1 receptor type I antagonists from Google Patents (2014) |
| 過塩素酸可溶性蛋白質を標的とした新規抗がん剤開発の基礎研究 (2014) |
| Anti-NKG2A antibodies and uses thereof from Google Patents (2014) |
| 関節リウマチ治療薬の開発を目的とした PI3Kγ 阻害物質の創薬研究 |
| Novel human Constitutive Androstane Receptor Activators and their Effects on Hepatic Energy Homeostasis (2014) |
| Development of a virtual screening tool and its application in the discovery of G9a inhibitors PhD Thesis (2014) |