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The North American UGM & Conference 2021 will take place online on September 22-23. This is a 2-day online event based in the Eastern Time (ET) zone, consisting of morning workshops, a lunchtime poster session, and afternoon scientific presentations on diverse topics associated with computational chemistry and biology, drug discovery and design. The first day (September 22, 2021) focuses on applications in biological therapeutics, protein modelling and engineering, whereas the second (June 18, 2024) concentrates on small molecule drug discovery, medicinal chemistry and chemoinformatics applications.

Biological Therapeutics, Protein Modelling and Engineering
September 22
09:00-10:15
Antibody Modeling and Protein Engineering 
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
Freya (Klepsch) Trasischker, Senior Applications Scientist, Chemical Computing Group
10:15-10:30
Break | Free Time
10:30-11:45
Biologics: Protein Alignments, Modeling and Docking 
Protein Alignments and Superposition / Loop and Linker Modeling / Homology Modeling / Protein- Protein Docking
Will Long, Principal Scientist, Chemical Computing Group
12:00-13:00
Posters & Group Discussions
13:30-13:35
Opening Remarks
13:35-14:15
An Introduction to Biopharmaceutical Informatics
Sandeep Kumar, Distinguished Research Fellow (Biotherapeutics) and Group Leader, Boehringer Ingelheim
14:15-14:35
FLT201: An AAV Mediated Gene Therapy for Type 1 Gaucher Disease Designed to Target Difficult to Reach Tissues
Fabrizio Comper, Scientific Director, Freeline Therapeutics Limited
14:35-15:05
Developability Assessment and Property Prediction by pH-Dependent Conformational Sampling
David Thompson, Senior Applications Scientist, Chemical Computing Group
15:05-15:50
Break | MOE Showcase: Antibody Structural Analysis, Developability Assessment & More 
Maximilian Ebert, Scientific Services Manager, Chemical Computing Group
15:50-16:20
Avidity Driven Bifunctionality
Bellos Hadjivassiliou, Senior Principal Scientist, Bristol-Myers Squibb
16:20-16:50
Predicting Antibody Developability Profiles Through Early Stage Discovery Screening
Essam Metwally, Principal Scientist, Merck & Co., Inc.
16:50-17:20
Predictive Process Development: A Computational Biophysics and Machine Learning Strategy
Francis Insaidoo, Associate Principal Scientist, Merck & Co., Inc.
17:20-17:30
Closing Remarks
17:30-18:00
Social Interactions | Further Discussions (Bring Your Own Beverage)
Small Molecule Drug Discovery Applications
September 23
09:00-10:15
Small Molecule Virtual Screening 
MOE Databases / Descriptors / Fingerprints / QSPR Modeling / Pharmacophore Modeling / Template-Forced Docking / Scaffold Replacement / MedChem Transformations
Sarah Witzke, Applications Scientist, Chemical Computing Group
10:15-10:30
Break | Free Time
10:30-11:45
Advanced Structure-Based Drug Design 
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
Nadia (Huifang) Li, Applications Scientist, Chemical Computing Group
12:00-13:00
Posters & Group Discussions
13:15-13:20
Opening Remarks
13:20-13:50
Artificial Intelligence in Drug Discovery – Revolution, Evolution, or Complete Nonsense
Pat Walters, Senior Vice President Computation, Relay Therapeutics
13:50-14:20
Discovery of a TRPA1 Clinical Candidate for the Treatment of Asthma
Huifen Chen, Senior Principal Scientist, Genentech
14:20-14:50
A Small-Molecule Inhibitor of C5 Complement Protein
Keith Jendza, Principal Scientist I, Novartis
14:50-15:20
Modeling PROTAC-Mediated Targeted Protein Degradation: Case Studies and Recent Developments
Mike Drummond, Scientific Applications Manager, Chemical Computing Group
15:20-15:50
Break | MOE Showcase: Data Mining for Medicinal Chemists, High Throughput Docking & More 
Maximilian Ebert, Scientific Services Manager, Chemical Computing Group
15:50-16:20
Computational Protocols for Modeling Induced Proximity Degrader Ternary Structures
Huan Rui, Senior Scientist, Amgen
16:20-16:50
Modeling the E3-Target Protein Ternary Complex: Application to the Generation of Novel Degraders
Theresa Johnson, Associate Scientific Director, EMD Serono
16:50-17:20
Developing Free Energy Techniques to Help Guide Pharmaceutical Lead Optimization
David Mobley, Professor, Pharmaceutical Sciences and Chemistry, UC Irvine
17:20-17:30
Closing Remarks
17:30-18:00
Social Interactions | Further Discussions (Bring Your Own Beverage)

If you would be interested in presenting a talk, please contact Raul Alvarez at .