Meetings
MedChem by Design 2019, Europe
October 17, 2019Cambridge, UK
This is a 1-day symposium focusing on benefits of computer-aided ligand and structure-based drug design techniques for medicinal chemists. Short hands-on workshops in the morning will be followed by scientific presentations in the afternoon.
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MedChem by Design 2019, North America
December 05, 2019Cambridge, MA
This is a 1-day symposium focusing on benefits of computer-aided ligand and structure-based drug design techniques for medicinal chemists. Short hands-on workshops in the morning will be followed by scientific presentations in the afternoon.
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Courses
MOE 2019 molecular surfaces and maps - ligand interactions - conformational searching - ligand optimization - ligand selectivity - protein alignments and superposition
MOE 2019 pharmacophore modeling - docking - fragment-based design - scaffold replacement - R-group screening - project search - protein-ligand interaction fingerprints (PLIF)
MOE 2019 protein engineering - protein properties - developability - hot spot analysis - antibody modeling - humanization - molecular surfaces
MOE 2019 alignments and superposition - loop and linker modeling - homology modeling - protein docking - solubility analysis - 2D hot spot mapping - protein ligand interaction fingerprints - QSAR modeling
MOE 2019 R-group profiles and analysis - MOEsaic - mmp analysis - descriptor calculations - conformational searching - molecular alignments - pharmacophore modeling and searching - diversity analysis
MOE 2019 MOE databases - calculated descriptors - fingerprints - QSAR modeling - binary QSAR - similarity searching - consensus modeling
MOE 2019 SVL - programming language - create scripts - customize MOE
MOE 2019 MOE project - database management - specialized protein families - project data search - PLIF analysis
PSILO 2019 macromolecular repository - display electron density - 3D query searching - pocket similarity - central repository - specialized protein databases
MOE 2019 structure preparation - non-natural amino acids - conformational searching - distance restraints - peptide-protein docking - protein-ligand interaction fingerprints
MOE 2019 homology modeling - loop modeling - loop conformational searching - sequence alignments - structure superposition - multimer alignments and superpositions
MOE 2019 virtual screening compound libraries - descriptor, property and activity filtering - pharmacophores - docking - compound design
MOE 2019 structure preparation - sidechain rotamer exploration - electron density maps - solvent analysis with 3D-RISM
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Tutorials
MOE 2019 protonate 3D - ligand docking - pharmacophore query - ligand pose analysis - surfaces and maps
MOE 2019 homologous sequence search - sequence alignments - protein templates - homology modeling - protein geometry - homology model evaluation
MOE 2019 hot spot analysis - identify mutation sites - optimize protein properties - predict affinity and stability - calculate protein properties
MOE 2019 fragment tools - scaffold replacement - pharmacophore model - ligand properties
MOE 2019 SBDD - structure preparation - SiteView - QuickPrep - 2D ligand interactions - surfaces and maps - molecule builder
MOE 2019 protein and ligand preparation - active site visualization - 2D ligand interactions diagrams - molecular surfaces - rendering options
MOE 2019 structural search - sequence independent search - domain motif - similar stuctural motif - nuclear receptor family
MOE 2019 building polysaccharides - oligosaccharides - carbohydrates - anomeric center - structure minimization
MOE 2019 conformational search - loop sampling - tethered restraints - LowModeMD - shape descriptors
MOE 2019 molecular transformations - reactions - active site constraints - modification in the receptor pocket
MOE 2019 pharmacophores - extended hueckel theory - query editor - excluded volumes - pharmacophore search
MOE 2019 sequence alignments - structural superposition - sequence similarity - sequence identity
MOE 2019 protein alignments - protein-ligand databases - PLIF - phamacophore query generator
MOE 2019 QSAR - molecular descriptors - model validation - data analysis - plots
MOE 2019 SD pipeline tools - fragment database - scaffold replacement - data preparation - molecular conformations
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