This UGM has completed

Registration Fees
Before April 27, 2018
$300 USD.

After April 27, 2018
$400 USD.
The fees give attendees full access to all workshop training sessions, scientific presentations, meals and receptions.

Raul Alvarez

Dorine Vidal

910-1010 Sherbrooke St. W
Montreal Quebec
H3A 2R7 Canada
+1 514 393-1055

UGM & Conference 2018
North America

June 26-29, 2018  |   Montreal, Canada  |  Le Saint-Sulpice Hotel

Chemical Computing Group is pleased to announce that the North American UGM & Conference 2018 will take place in Montreal, Canada at Le Saint-Sulpice Hotel, right in the heart of Montreal’s beautiful Old Port district. Our annual scientific meeting is a 4-day event consisting of 2 days of workshops (June 26-27) and 2 days of scientific presentations (June 28-29), as well as plenty of opportunities to socialize during our receptions and conference dinner. Please note that space is limited so early registration is recommended.

TUESDAY, June 26 - WorkshopsDAY 1
08:00Registration Open
09:00-12:00Introduction to SVL
SVL Concepts / Scripts for Moe/Batch / Test New Ideas/Hypotheses / Customize MOE / Programming Techniques / Window Toolkit / Descriptors and Fingerprints / Interactive Problem Solving
09:00-12:00X-Ray Crystallography: Structure Preparation, Electron Density and Solvent Analysis
Structure Preparation / Side-Chain Rotamer Exploration / Electron Density Maps / Solvent Analysis with 3D-RISM
09:00-12:00Peptide Modeling, Conformational Searching and Docking
Structure preparation / Non-natural amino acids / Conformational searching / Distance restraints / Peptide-protein docking / Protein-ligand interaction fingerprints
13:30-17:00MOE Project and Protein Family Modeling
MOE project / database management / specialized protein families / project search
13:30-17:00Structure-Based Drug Design and Ligand Modification
Molecular Surfaces and Maps / Ligand Interactions / Conformational Searching / Ligand Optimization / Ligand Selectivity / Protein Alignments and Superposition
13:30-17:00Cheminformatics and QSAR
MOE databases / Calculated Descriptors / Fingerprints / QSAR Modeling / Binary QSAR / Similarity Searching / Consensus Modeling

WEDNESDAY, June 27 - WorkshopsDAY 2
09:00-12:00Advanced Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
09:00-12:00Antibody Modeling and Protein Engineering in MOE
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
09:00-12:00Ligand-Based Drug Design and SAR Analysis
R-Group Profiles and Analysis / MOEsaic / MMP Analysis / Descriptor Calculations / Conformational Searching / Molecular Alignments / Pharmacophore Modeling and Searching / Diversity Analysis
13:30-17:00Protein Alignments and Homology Modeling
Sequence and structure alignments / Template selection / Building and refining homology models
13:30-17:00Biologics: 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
13:30-17:00Small Molecule Virtual Screening
MOE Databases / Descriptors / Fingerprints / QSPR Modeling / Pharmacophore Modeling / Template-Forced Docking / Scaffold Replacement / MedChem Transformations
18:30-20:30Opening Reception & Poster Session

THURSDAY, June 28 - Scientific PresentationsDAY 3
08:30-08:55Morning Coffee
08:55-09:00Opening Remarks
09:00-09:30Protein Degradation : Hijacking the Ubiquitin-Proteasome System 
Ye Che, Senior Principal Scientist & Head of Computational Design Lab, Pfizer
09:30-10:00Scaling Binding Site Prediction Tools to the Human Proteome using HPC 
Christopher MacDermaid, Scientific Investigator, GSK
10:00-10:303-D Visualization in Drug Discovery 
Paul Beroza, Senior Scientist, Genentech
Matthias Keil, Principal Scientist, Chemical Computing Group
10:30-11:00Morning Break
11:00-11:30Will AI redefine the role of Structural Analysis in Drug Development? 
Rafael Depetris, Principal Scientist I, Kadmon Pharmaceuticals
11:30-12:00Towards the Next Generation of Crystal Structure Database 
Jérémy Desaphy, Research Scientist, Eli Lilly
12:00-12:30Designing Beyond Rule-Of-Five Molecules for Tough Targets 
Alan Cheng, Director, Merck
12:30-14:00Lunch Break
14:00-14:30Automated Pharmacophore Generation and Its Use in Virtual Screening 
Miklos Feher, Senior Research Scientist, D.E. Shaw Research
14:30-15:00Prediction of CYP Selectivity, Reactivity, and Regioselectivity Incorporating Enzyme Structural Information 
Michael Drummond, Scientific Applications Manager, Chemical Computing Group
15:00-15:30Scaffold Modifications of Fungal CYP51 Inhibitors 
Sam Shaver, Director, Medicinal Chemistry, Viamet
15:30-16:00Afternoon Break
16:00-16:30Geometric Approaches to PXR Mitigation 
Mike Bower, Senior Research Scientist, Vertex
16:30-17:00The Identification of Novel Phosphodiesterase 2 Inhibitors by Fragment-Based Drug Design 
Deping Wang, Associate Principal Scientist, Merck
19:00Conference Dinner

FRIDAY, June 29 - Scientific PresentationsDAY 4
08:30-09:00Morning Coffee
09:00-09:30Free Ligand Conformational Case Studies: Can NMR Plus Computation Create Low Hanging Fruit for MedChem Design? 
Amber Balazs, Analytical Chemist - NMR Specialist, AstraZeneca
09:30-10:00A Kinase Platform for the Discovery of Reversible and Covalent Kinase Inhibitors 
Igor Mochalkin, Associate Director, Medicinal Chemistry, EMD Serono
10:00-10:30Uncoupling the Structure-Activity Relationships of β2 Adrenergic Receptor Ligands from Membrane Binding 
Viktor Hornak, Senior Investigator I, Novartis
10:30-11:00Morning Break
11:00-11:30Multiple Mechanisms of Ligand Blocking by Antibodies in a Single Target
Fernando Garcês, Senior Scientist, Amgen
11:30-12:00Structure-Based Design of Broadly Protective Group A Streptococcal M Protein-Based Vaccines 
Jerome Baudry, Professor of Biological Sciences, University of Alabama
12:00-12:30Computational Approaches for Optimizing the Developability of Biotherapeutics 
Nels Thorsteinson, Scientific Services Manager, Biologics, Chemical Computing Group
12:30-14:00Lunch Break
14:00-14:30Are Ligand Binding Affinities Additive? 
Chuck Reynolds, President & Founder, Gfree Bio
14:30-15:00Fluorine Multipolar Interaction: How Much is it Worth in Binding Free Energy? 
Li Xing, Senior Director, Computational Chemistry, WuXi AppTec
15:00-15:30Designing MOE Workflows in KNIME for Automated Drug Discovery 
George Nicola, Senior Vice President, Computational Pharmacology, Afecta Pharmaceuticals
15:30-15:35Closing Remarks
15:35-17:00Closing Reception

There will be a number of hands-on MOE workshops on various application areas on June 26 and 27. Workshops will be held at Le Saint-Sulpice Hotel. Course titles are shown above in the Preliminary Agenda.

We are accepting abstracts for posters. If you are interested in presenting a poster during the meeting, please include your poster title and abstract on your registration form. Poster presenters will receive a 25% discount on the early/regular registration. Poster viewing will be scheduled on Wednesday evening (June 27), during the Opening Reception.

Deadline for poster submission is May 18, 2018.

There will be 3 main social functions during the North American UGM & Conference 2018. An opening cocktail with posters on Wednesday evening (June 27), a conference cocktail and dinner on the evening of Thursday (June 28) and a closing reception on Friday afternoon (June 29).

Before April 27, 2018, conference fees are $300 USD, rising to $400 USD after this date. Registration provides attendees with full access to all workshop sessions, scientific presentations, meals and social functions. Attendees presenting an accepted poster or oral presentation will receive a 25% discount on early / regular registration.