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We are pleased to announce that the next CCG North American UGM and Conference is returning to an "in-person" format and will take place on 21-24 juin 2022 in Montréal, Canada. This 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.

TUESDAY, June 21 - Workshops
Day 1
08h00
Registration Opens
08h30-09h00
Welcome Refreshments
09h00-12h00
Ligand-Based Drug Design and SAR Analysis 
MOEsaic / R-Group Profiles and Analysis / MMP Analysis / Similarity and Substructure Searching / Descriptor Calculations / Conformational Searching / Molecular Alignments / Pharmacophore Modeling and Searching
09h00-12h00
Organizing Protein Structural Families and Data Mining 
MOE project / specialized protein families / project search / Organizing and centralizing project data / protein family modeling
09h00-12h00
Introduction to SVL 
SVL / programming language / create scripts / customize MOE
12h00-13h30
Lunch Break
13h30-16h30
Fragment-Based Drug Design 
Scaffold Replacement / Medicinal Chemistry Transformations / Fragment Linking / R-Group Screening / Ligand Growing / Pharmacophores / Fragment Databases
13h30-16h30
Peptide Modeling, Conformational Searching and Docking 
Structure preparation / Non-natural amino acids / Conformational searching / Distance restraints / Peptide-protein docking / Protein-ligand interaction fingerprints
13h30-16h30
X-Ray Crystallography: Structure Preparation, Electron Density and Solvent Analysis 
Structure Preparation / Side-Chain Rotamer Exploration / Electron Density Maps / Solvent Analysis with 3D-RISM
WEDNESDAY, June 22 - Workshops & Poster Session
Day 2
08h30-09h00
Welcome Refreshments
09h00-12h00
Advanced Structure-Based Drug Design 
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
09h00-12h00
Antibody Modeling and Protein Engineering 
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
09h00-12h00
Cheminformatics and QSAR 
MOE databases / Calculated Descriptors / Fingerprints / QSAR Modeling / Binary QSAR / Similarity Searching / Consensus Modeling
12h00-13h30
Lunch Break
13h30-16h30
Small Molecule Virtual Screening 
Virtual Screening Compound Libraries / Descriptors, Fingerprints and QSPR Modeling / Pharmacophore Modeling / Template-based Docking / Compound Design
13h30-16h30
Biologics: Protein Alignments, Modeling and Docking 
Protein Alignments and Superposition / Loop and Linker Modeling / Homology Modeling / Protein- Protein Docking / Protein Solubility Analysis / 2D Hot Spot Mapping / PLIF / Biologics QSAR Modeling
13h30-16h30
PSILO: A Protein-Ligand Structural Information Repository for Searching and Managing Public and Private Data 
Macromolecular repository / 3D query searching / pocket similarity / display electron density / central repository / Specialized protein databases
18h30-20h30
Opening Reception & Poster Session
20h45
Optional Montreal Walking Tour
THURSDAY, June 23 - Scientific Presentations
Day 3
08h30-09h00
Welcome Refreshments
09h00-09h05
Opening Remarks
09h05-09h35
Artificial Intelligence in Drug Discovery – Revolution, Evolution, or Complete Nonsense
Pat Walters, Senior Vice President Computation, Relay Therapeutics
09h35-10h05
Building a Knowledge Base to Unlock Molecular Machines
Cen Gao, Director, Head of CADD, MOMA Therapeutics
10h05-10h35
One Hundred Fifteen Years of Solitude SVL
David Lawson, Senior Director, Structural Chemistry, Mirati Therapeutics
10h35-11h05
Morning Break
11h05-11h35
Ensemble Docking with MOE: Very High Throughput and Highly Enriched Ligand Screening
Jerome Baudry, Pei-Ling Chan Eminent Scholar and Professor, University of Alabama
11h35-12h05
The Use of Trajectory Data from Long-Timescale Molecular Dynamics Simulations in Virtual Screening
Miklos Feher, Senior Research Scientist, D.E. Shaw Research
12h05-12h35
Database autoph4: Pharmacophore Analysis of Multiple Protein Structures
Chris Williams, Director of Scientific Support, Principal Scientist, Chemical Computing Group
12h35-14h00
Lunch Break
14h00-14h30
Mining Minima Comes of Age: Integration of the VM2 Protein-Ligand Free Energy Method and MOE
Michael Gilson, Professor, Biomolecular theory and simulation, University of California San Diego, and Co-Founder, VeraChem LLC
14h30-15h00
Positional Analogue Scanning with Amber GPU-TI
Yuan Hu, Associate Principal Scientist, Alkermes
15h00-15h30
Incorporating Large Scale QM in Ligand Design Pipelines
Monika Williams, Scientist II, Frontier Medicines
15h30-16h00
Afternoon Break
16h00-16h30
An Iterative Scaffold-Hopping Strategy for The Design of Selective PI3K-δ Inhibitors
Xavier Fradera, Senior Principal Scientist, Blueprint Medicines
16h30-17h00
Love Drug Discovery in the Time of Cholera COVID
José Duca, Global Head of Computer-Aided Drug Discovery, Novartis
18h30-22h00
Drinks Reception and Conference Dinner at Gibbys
FRIDAY, June 24 - Scientific Presentations
Day 4
08h30-09h00
Welcome Refreshments
09h00-09h30
Reverse Fingerprinting: Application to Motif Detection and Pharmacophore Query Generation
Chris Williams, Director of Scientific Support, Principal Scientist, Chemical Computing Group
09h30-10h00
A General Survey of Characteristics of 89 Antibody-based Biotherapeutics
Kyle Martin, Postdoctoral Researcher, Boehringer Ingelheim
10h00-10h30
Predicting Antibody Developability Profiles Through Early Stage Discovery Screening
Essam Metwally, Principal Scientist, Merck & Co., Inc.
10h30-11h00
Morning Break
11h00-11h30
Enhancing Subunit Interactions Through Iterative Protein Design Using Protein-Protein Docking in MOE
Nancy Deng, Director, Computational Chemistry, ChemPartner
11h30-12h00
MOE Antibody Database: Structural Bioinformatics for Antibody Research
Prabakaran Ponraj, Large Molecule Research, Senior Principal Scientist, Sanofi
12h00-12h30
Structure-Based Charge Calculations for Predicting Properties and Profiling Antibody Therapeutics
Nels Thorsteinson, Director of Biologics, Chemical Computing Group
12h30-14h00
Lunch Break
14h00-14h30
Hunting for Relevant Preclinical Properties of Successful Biotherapeutics: The Quest Continues
Vanita D. Sood, Global Head of Drug Disposition & Design Discovery & Development Technologies, EMD Serono
14h30-15h00
Next Generation Fc Scaffold for Multispecific Antibodies
Fernando Garces, Director Protein Therapeutics, Gilead Sciences
15h00-15h30
Consensus Protein Design of ScFvs
Sandeep Kumar, Distinguished Research Fellow (Biotherapeutics) and Group Leader, Boehringer Ingelheim
15h30-15h40
Closing Remarks
15h40-16h30
Closing Reception