This UGM has completed

Registration Fees
Before April 10th, 2017
$300 USD.

After April 10th, 2017
$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 2017
North America

June 20-23, 2017  |   Montreal, Canada  |  Le Saint-Sulpice Hotel  |  #MtlUGM2017

Submit Your Poster
Accepted posters will receive a 25% discount on registration fees
May 12th, 2017

Chemical Computing Group is pleased to announce that the North American UGM & Conference 2017 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 20-21) and 2 days of scientific presentations (June 22-23), 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 20 - 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
09:00-12:00Structure-Based Drug Design and Ligand Modification
Molecular Surfaces and Maps / Ligand Interactions / Conformational Searching / Ligand Optimization / Ligand Selectivity / Protein Alignments and Superposition
13:30-17:00Fragment-Based Drug Design
Scaffold Replacement / Medicinal Chemistry Transformations / Fragment Linking / R-Group Screening / Ligand Growing / Pharmacophores / Fragment Databases
13:30-17:00Peptide Modeling, Conformational Searching and Docking
Course details to be Announced
13:30-17:00Q&A - Open Discussions

WEDNESDAY, June 21 - WorkshopsDAY 2
09:00-12:00Applications of Pharmacophores in Drug Design
Pharmacophore Modeling / Pharmacophore Elucidation and Consensus / Flexible Alignments / Pharmacophore Searching / Protein-Ligand Interaction Fingerprints (PLIF)
09:00-12:00Antibody Modeling and Protein Engineering in MOE
Protein Engineering / Protein Properties / Developability / Hot Spot Analysis / Antibody Modeling / Humanization / Molecular Surfaces
09:00-12:00Advanced Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
13:30-17:00Protein Alignments, Superpositions, Homology Modeling and Loop Modeling
Homology modeling / Loop Modeling / Loop Conformational Searching / Sequence Alignments / Structure Superposition / Multimer alignments and superpositions
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
13:30-17:00Ligand-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
18:30-20:30Poster session & opening reception

THURSDAY, June 22 - Scientific PresentationsDAY 3
08:00-08:30Morning Coffee
08:30-08:35Opening Remarks
08:35-09:05Exploring Molecular Dynamics Simulations of Membranes in Drug Discovery
Jose Duca, Global Head of Computer-Aided Drug Discovery, Novartis
09:05-09:35Tactics for amplifying the power of MOE in drug design
Hongmao Sun, Scientist, National Institutes of Health
09:35-10:05Bringing Computational Chemistry Capabilities into the Hands of Medicinal Chemists
Jibo Wang, Senior Research Advisor, Eli Lilly
10:05-10:35Morning Break
10:35-11:05Structure-Based Hit Identification of Allosteric HIV Integrase Inhibitors
John Sanders, Principal Scientist, Merck & Co., Inc.
11:05-11:35Computational Modeling of human β-secretase 1 (BACE-1) Inhibitors using Ligand Based Approaches
Govindan Subramanian, Senior Principal Research Scientist, Zoetis
11:35-12:05MOEsaic: Application of Matched Molecular Pairs to Interactive SAR Exploration
Al Ajamian, Director of Business Development, Chemical Computing Group
12:05-14:00Lunch Break
14:00-14:30Structural informatics of complex drug targets: Modeling flexible pharmacophores in genome space – the case of NS5A and NS5B directed inhibitors of hepatitis C
James Nettles, Adjunct Faculty-Dept. of Biomedical Informatics, Emory University School of Medicine
14:30-15:00Can Machine-Learning post-processing of docking results yield an improvement in activity prediction?
Jeff Warrington, Senior Scientist, Cytokinetics
15:00-15:30Improvements and integration of QM and MM strain energy calculations using recently open-sourced Chemalot tools with MOE
Ben Sellers, Scientist, Genentech
15:30-16:00Afternoon Break
16:00-16:30Identification and Optimization of Potent and Selective Inhibitors of PAK1
Edward J. Hennessy, Associate Principal Scientist, AstraZeneca
16:30-17:00Discovery and profiling of novel, intestinally-restricted oral pan-JAK inhibitors for the treatment of inflammatory bowel diseases
Jennifer Kozak, Research Scientist, Theravance
17:00-17:30Structure-Based Optimization of a Potent, Selective and CNS penetrable p70S6K/AKT Inhibitor M2698 for the Treatment of Tumors with PAM Pathway Genomic Alterations
Igor Mochalkin, Associate Director, Medicinal Chemistry and Lead Optimization, EMD Serono
19:00Conference Dinner

FRIDAY, June 23 - Scientific PresentationsDAY 4
08:00-08:30Morning Coffee
08:30-09:00Protein Stability Calculations: Application to the improvement of biocatalysts for manufacturing processes
Kristin Brown, Director, Molecular Design US, GlaxoSmithKline
09:00-09:30Central Nervous System Multi-Parameter Optimization (CNS MPO) Desirability: A Holistic Assessment of Drug Property and its Application in Discovery Projects
Xinjun Hou, Head of Neuroscience Computational Chemistry, Pfizer
09:30-10:00Computational Modeling and Biophysical Analysis of Novel Biologics
Sandra Rios, Principal Scientist, Merck
10:00-10:30Morning Break
10:30-11:00Between Large and Small Molecules: Modeling Therapeutic Peptides
Kristin Andrews, Senior Scientist, Amgen
11:00-11:30Developing a platform for in-silico protein design: Applications to thermostability QSAR modeling
Kenneth McGuinness, Postdoctoral Fellow, Merck
11:30-12:00Macromolecular Structure-Activity Relationship: Are We Ready to Use It for Protein Therapeutics Design?
Lei Jia, Scientist, Amgen
12:00-12:30Prediction of Protein-Protein Binding Sites and Epitope Mapping
John Gunn, Senior Research Scientist, Chemical Computing Group
12:30-14:00Lunch Break
14:00-14:30Optimizing Protein Properties in the Cloud with MOE
Essam Metwally, Senior Scientist, Chemical Computing Group
14:30-15:00Computational modeling of antibody-antigen interactions
Arvind Sivasubramanian, Senior Scientist I Computational Biology, Adimab
15:00-15:30Structural analysis of antibody-antigen complexes by crystallography and modelling
Rafael Depetris, Principal Scientist, Kadmon Pharmaceuticals
15:30-15:45Closing Remarks
15:45-17:00Closing Reception

There will be a number of hands-on MOE workshops on various application areas on June 20th and 21st. Workshops will be held at Le Saint-Sulpice Hotel.

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 22), during the Opening Reception.

Deadline for poster submission is May 12th, 2017.

There will be 3 main social functions during the UGM & Conference 2017. An opening cocktail with posters on Wednesday evening (June 21), a conference cocktail and dinner on the evening of Thursday (June 22) and a closing reception on Friday afternoon (June 23).

Accommodation and travel arrangements are the responsibility of attendees. If you would like to stay at Le Saint-Sulpice Hotel, please make your hotel reservations directly with the hotel. In order to get the special group rate of $235.00 CND, plus taxes, per night stay in a deluxe suite, please make sure you make your reservation by email ( or phone (1-866-811-1345) or directly online no later than May 19, 2017. When making your reservation, please mention the name "Chemical Computing Group."

  • The rate is per night, per suite, single or double occupancy
  • Complimentary high speed internet and Wi-Fi access in all suites and meeting rooms
  • No charge for children under 12 years who stay with their parents
  • $25.00 per additional person will be added to the account (maximum 4)

Conference fees are $300 USD before April 10th, 2017 - $400 USD thereafter. The fees give attendees full access to all workshop sessions, scientific presentations, meals and social functions. Attendees presenting an accepted poster will receive a 25% discount on early/regular registration.