May 20-23Oxford, United Kingdom
The 2025 CCG European UGM & Conference is a 4-day event, consisting of workshops, scientific presentations, and a poster session as well as social activities including receptions and a conference dinner.
Read MoreApril 25Cambridge, MA
MedChem by Design 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.
Read MoreJuly 28Online
Biologics by Design is an online 1-day meeting focusing on methods in early stage biologics design. Computational biologics design workshops in the morning are followed by scientific presentations in the afternoon.
Read MoreAccess MOE course and tutorial materials through the Help menu of the MOE interface. Request a trial or Contact Us for more information.
MOE 2024 molecular surfaces and maps - ligand interactions - conformational searching - ligand optimization - ligand selectivity - protein alignments and superposition
MOE 2024 pharmacophore modeling - docking - fragment-based design - scaffold replacement - R-group screening - project search - protein-ligand interaction fingerprints (PLIF)
MOE 2024 protein engineering - protein properties - developability - hot spot analysis - antibody modeling - humanization - molecular surfaces
MOE 2024 alignments and superposition - loop and linker modeling - homology modeling - protein docking - solubility analysis - 2D hot spot mapping - protein ligand interaction fingerprints - QSAR modeling
MOE 2024 R-group profiles and analysis - MOEsaic - mmp analysis - descriptor calculations - conformational searching - molecular alignments - pharmacophore modeling and searching - diversity analysis
MOE 2024 MOE databases - calculated descriptors - fingerprints - QSAR modeling - binary QSAR - similarity searching - consensus modeling
MOE 2024 SVL - programming language - create scripts - customize MOE
MOE 2024 MOE project - database management - specialized protein families - project data search - PLIF analysis
PSILO 2024 macromolecular repository - display electron density - 3D query searching - pocket similarity - central repository - specialized protein databases
MOE 2024 structure preparation - non-natural amino acids - conformational searching - distance restraints - peptide-protein docking - protein-ligand interaction fingerprints
MOE 2024 homology modeling - loop modeling - loop conformational searching - sequence alignments - structure superposition - multimer alignments and superpositions
MOE 2024 virtual screening compound libraries - descriptor, property and activity filtering - pharmacophores - docking - compound design
MOE 2024 structure preparation - sidechain rotamer exploration - electron density maps - solvent analysis with 3D-RISM
MOE 2024 protonate 3D - ligand docking - pharmacophore query - ligand pose analysis - surfaces and maps
MOE 2024 homologous sequence search - sequence alignments - protein templates - homology modeling - protein geometry - homology model evaluation
MOE 2024 hot spot analysis - identify mutation sites - optimize protein properties - predict affinity and stability - calculate protein properties
MOE 2024 fragment tools - scaffold replacement - pharmacophore model - ligand properties
MOE 2024 SBDD - structure preparation - SiteView - QuickPrep - 2D ligand interactions - surfaces and maps - molecule builder
MOE 2024 protein and ligand preparation - active site visualization - 2D ligand interactions diagrams - molecular surfaces - rendering options
MOE 2024 structural search - sequence independent search - domain motif - similar stuctural motif - nuclear receptor family
MOE 2024 building polysaccharides - oligosaccharides - carbohydrates - anomeric center - structure minimization
MOE 2024 conformational search - loop sampling - tethered restraints - LowModeMD - shape descriptors
MOE 2024 molecular transformations - reactions - active site constraints - modification in the receptor pocket
MOE 2024 pharmacophores - extended hueckel theory - query editor - excluded volumes - pharmacophore search
MOE 2024 sequence alignments - structural superposition - sequence similarity - sequence identity
MOE 2024 protein alignments - protein-ligand databases - PLIF - phamacophore query generator
MOE 2024 QSAR - molecular descriptors - model validation - data analysis - plots
MOE 2024 SD pipeline tools - fragment database - scaffold replacement - data preparation - molecular conformations