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The North American UGM & Conference 2021 will take place online on 22-23 septembre. 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 (22 septembre 2021) focuses on applications in biological therapeutics, protein modelling and engineering, whereas the second (15 février 2025) concentrates on small molecule drug discovery, medicinal chemistry and chemoinformatics applications.

Biological Therapeutics, Protein Modelling and Engineering
September 22
09h00-10h15
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
10h15-10h30
Break | Free Time
10h30-11h45
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
12h00-13h00
Posters & Group Discussions
13h30-13h35
Opening Remarks
13h35-14h15
An Introduction to Biopharmaceutical Informatics
Sandeep Kumar, Distinguished Research Fellow (Biotherapeutics) and Group Leader, Boehringer Ingelheim
14h15-14h35
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
14h35-15h05
Developability Assessment and Property Prediction by pH-Dependent Conformational Sampling
David Thompson, Senior Applications Scientist, Chemical Computing Group
15h05-15h50
Break | MOE Showcase: Antibody Structural Analysis, Developability Assessment & More 
Maximilian Ebert, Scientific Services Manager, Chemical Computing Group
15h50-16h20
Avidity Driven Bifunctionality
Bellos Hadjivassiliou, Senior Principal Scientist, Bristol-Myers Squibb
16h20-16h50
Predicting Antibody Developability Profiles Through Early Stage Discovery Screening
Essam Metwally, Principal Scientist, Merck & Co., Inc.
16h50-17h20
Predictive Process Development: A Computational Biophysics and Machine Learning Strategy
Francis Insaidoo, Associate Principal Scientist, Merck & Co., Inc.
17h20-17h30
Closing Remarks
17h30-18h00
Social Interactions | Further Discussions (Bring Your Own Beverage)
Small Molecule Drug Discovery Applications
September 23
09h00-10h15
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
10h15-10h30
Break | Free Time
10h30-11h45
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
12h00-13h00
Posters & Group Discussions
13h15-13h20
Opening Remarks
13h20-13h50
Artificial Intelligence in Drug Discovery – Revolution, Evolution, or Complete Nonsense
Pat Walters, Senior Vice President Computation, Relay Therapeutics
13h50-14h20
Discovery of a TRPA1 Clinical Candidate for the Treatment of Asthma
Huifen Chen, Senior Principal Scientist, Genentech
14h20-14h50
A Small-Molecule Inhibitor of C5 Complement Protein
Keith Jendza, Principal Scientist I, Novartis
14h50-15h20
Modeling PROTAC-Mediated Targeted Protein Degradation: Case Studies and Recent Developments
Mike Drummond, Scientific Applications Manager, Chemical Computing Group
15h20-15h50
Break | MOE Showcase: Data Mining for Medicinal Chemists, High Throughput Docking & More 
Maximilian Ebert, Scientific Services Manager, Chemical Computing Group
15h50-16h20
Computational Protocols for Modeling Induced Proximity Degrader Ternary Structures
Huan Rui, Senior Scientist, Amgen
16h20-16h50
Modeling the E3-Target Protein Ternary Complex: Application to the Generation of Novel Degraders
Theresa Johnson, Associate Scientific Director, EMD Serono
16h50-17h20
Developing Free Energy Techniques to Help Guide Pharmaceutical Lead Optimization
David Mobley, Professor, Pharmaceutical Sciences and Chemistry, UC Irvine
17h20-17h30
Closing Remarks
17h30-18h00
Social Interactions | Further Discussions (Bring Your Own Beverage)

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