Educational Events

Workshops & Webinars

Stay tuned, more to come!

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Biologics By Design 2022, Online (JST)

July 28, 2022Online

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.

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UGM & Conference 2022, North America

June 21-24, 2022Montreal, Canada

The 2022 CCG North American 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.

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UGM & Conference 2022, Amsterdam

May 17-20, 2022 Amsterdam, Netherlands

The 2022 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.

Biologics By Design 2022, Online (CET)

February 24, 2022Online

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.

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.

Courses and Tutorials

Courses

Structure-Based Drug Design and Ligand Modification

MOE 2019 molecular surfaces and maps - ligand interactions - conformational searching - ligand optimization - ligand selectivity - protein alignments and superposition

Advanced Structure-Based Design

MOE 2019 pharmacophore modeling - docking - fragment-based design - scaffold replacement - R-group screening - project search - protein-ligand interaction fingerprints (PLIF)

Antibody Modeling and Protein Engineering

MOE 2019 protein engineering - protein properties - developability - hot spot analysis - antibody modeling - humanization - molecular surfaces

Biologics: Protein Alignments, Modeling and Docking

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

Ligand-Based Drug Design and SAR Analysis

MOE 2019 R-group profiles and analysis - MOEsaic - mmp analysis - descriptor calculations - conformational searching - molecular alignments - pharmacophore modeling and searching - diversity analysis

Cheminformatics and QSAR

MOE 2019 MOE databases - calculated descriptors - fingerprints - QSAR modeling - binary QSAR - similarity searching - consensus modeling

Introduction to SVL

MOE 2019 SVL - programming language - create scripts - customize MOE

MOE Project and Protein Family Modeling

MOE 2019 MOE project - database management - specialized protein families - project data search - PLIF analysis

PSILO

PSILO 2019 macromolecular repository - display electron density - 3D query searching - pocket similarity - central repository - specialized protein databases

Peptide Modeling, Conformational Searching and Docking

MOE 2019 structure preparation - non-natural amino acids - conformational searching - distance restraints - peptide-protein docking - protein-ligand interaction fingerprints

Protein Alignments and Homology Modeling

MOE 2019 homology modeling - loop modeling - loop conformational searching - sequence alignments - structure superposition - multimer alignments and superpositions

Small Molecule Virtual Screening

MOE 2019 virtual screening compound libraries - descriptor, property and activity filtering - pharmacophores - docking - compound design

X-Ray Crystallography and Solvent Analysis

MOE 2019 structure preparation - sidechain rotamer exploration - electron density maps - solvent analysis with 3D-RISM

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Tutorials

Docking

MOE 2019 protonate 3D - ligand docking - pharmacophore query - ligand pose analysis - surfaces and maps

Homology Modeling of Proteins

MOE 2019 homologous sequence search - sequence alignments - protein templates - homology modeling - protein geometry - homology model evaluation

Protein Design

MOE 2019 hot spot analysis - identify mutation sites - optimize protein properties - predict affinity and stability - calculate protein properties

Scaffold Replacement

MOE 2019 fragment tools - scaffold replacement - pharmacophore model - ligand properties

Structure-Based Drug Design

MOE 2019 SBDD - structure preparation - SiteView - QuickPrep - 2D ligand interactions - surfaces and maps - molecule builder

3D Visualization and Making Pictures

MOE 2019 protein and ligand preparation - active site visualization - 2D ligand interactions diagrams - molecular surfaces - rendering options

Domain Motif Searching in MOE

MOE 2019 structural search - sequence independent search - domain motif - similar stuctural motif - nuclear receptor family

Flexible Alignment

MOE 2019 building polysaccharides - oligosaccharides - carbohydrates - anomeric center - structure minimization

LowModeMD

MOE 2019 conformational search - loop sampling - tethered restraints - LowModeMD - shape descriptors

MedChem Transformations In-Cleft

MOE 2019 molecular transformations - reactions - active site constraints - modification in the receptor pocket

Pharmacophore Query Editing and Searching

MOE 2019 pharmacophores - extended hueckel theory - query editor - excluded volumes - pharmacophore search

Protein Alignment and Superposition

MOE 2019 sequence alignments - structural superposition - sequence similarity - sequence identity

Protein Ligand Interaction Fingerprints (PLIF)

MOE 2019 protein alignments - protein-ligand databases - PLIF - phamacophore query generator

QSAR: Modeling Experimental Data

MOE 2019 QSAR - molecular descriptors - model validation - data analysis - plots

SD Pipelining Tools - How to Create a Fragment Database

MOE 2019 SD pipeline tools - fragment database - scaffold replacement - data preparation - molecular conformations