CUP is OpenEye's annual scientific meeting held at La Fonda on the Plaza in Santa Fe where we bring together top Scientists, Customers, Users, and Programmers in the industry to discuss the challenges in drug discovery. The event will feature reports from OpenEye scientists, two keynote speakers and four half-day sessions.
Keynote Speakers:
Frank K. Brown Industry Perspective
Jeff Blaney - Sr. Director, Discovery Chemistry, Genentech
The Levinthal Lecture
Ken Dill - Laufer Family Endowed Professor, Stony Brook University
Sessions:
Monday PM: Santa Fe Room
Welcome Reception
7:00 Welcome Reception
Tuesday AM: Lumpkins Ballroom
OpenEye: Scientific and Platform Advances
8:00 Registration Opens - Breakfast buffet on the Mezzanine
9:00 What’s Going on Around Here? - Geoff Skillman, Vice President of R&D, BU Head
9:30 Just When You Thought We had Reached the Search Limit - Matt Geballe, Group Director, Scientific R&D
10:00 OMEGA is the Alpha & Bayes - Riddhish Pandharkar, Scientific Developer
10:30 Break
11:00 Dude, Can I Bind Here? - Neha Vithani, Scientific Developer
11:30 There Were Always Multiple Conformations! - David Wych, Scientific Developer
12:00 Lunch Break (on own)
Tuesday PM: Lumpkins Ballroom
OpenEye: Scientific and Platform Advances
2:00 AI AI Everywhere, AI AI In My… - Caitlin Bannan, Manager, Scientific R&D and Jesper Sørensen, Head of Scientific Development
2:20 Orion is Not One-Size Fits All - Jharrod LaFon, Vice President of R&D
2:40 The Haystack is Massive - but We Find the Needles Fast - Kalistyn Burley, Application Scientist
3:00 Break
3:30 AI Looks Better With 3D Colored Glasses – Jingyi Chen, Scientific Developer
4:00 A Map Guiding You to the Right Trees in the Forest - Chris Neale, Senior Manager, Scientific R&D
4:30 Minimizing Your Losses…Lessons from Rhode Island Hold-Em - Greg Bakken, Group Director, Scientific R&D
5:00 Break
5:15 Frank K. Brown Industry Perspective Keynote: “What I’ve Learned from 42 Years of Drug Discovery: Douglas Adams was Right - Jeff Blaney - Sr. Director, Discovery Chemistry, Genentech
6:30 Reception & Dinner Buffet - La Terraza Banquet Room
Wednesday AM: Lumpkins Ballroom
Computational DEL Analysis
8:00 Registration Opens - Breakfast buffet on the Mezzanine
9:00 Ligand Discovery Using DEL Screening - William Mallender - Vice President of Biochemistry, Tango Therapeutics
9:30 Using computation to design and explore compound libraries, with an emphasis on DELs - David Mobley - Professor, UCI Department of Chemistry
10:00 Break
10:30 J&J’s DEL Informatics Platform: Perspectives from a (Relative) Newcomer – Michael Hack - Senior Principal Scientist, Janssen Pharmaceuticals
11:00 The potential, and pitfalls, of DEL for big data generation - James Wellnitz - Tropsha and Popov Groups, Dept. of Chemical Biology and Med. Chem., UNC
11:30 Computational approaches enabling PF-DEL platform: from library design to target screening - Hongyao Zhu - Senior Principal Scientist, Pfizer Inc.
12:00 Lunch Break (on own)
Wednesday PM: Lumpkins Ballroom
Cryptic Pockets and Allostery in Drug Discovery
2:00 Computational Assessment of Positive & Negative Allosteric Modulators of GPCRs - Ivet Bahar - Louis and Beatrice Laufer Endowed Chair, Professor, Department of Biochemistry and Cell Biology, Stony Brook University
2:30 Rapid Molecular Modeling for Focused Cryptic Pocket Identification - Yunhui Ge - Scientist, Alkermes
3:00 Illuminating an invisible HIV-1 capsid protein state via 19F NMR and weighted ensemble simulations - Lillian Chong - Professor, Department of Chemistry, University of Pittsburgh
3:30 Break
4:00 There’s Plenty of Room in Your Undruggable Protein - David LeBard - Head of Science, OpenEye, Cadence Molecular Sciences
4:45 Break
5:00 The Levinthal Lecture: Ken Dill - Laufer Family Endowed Professor, Stony Brook University
6:00 Poster Session with Dinner Buffet - New Mexico and Santa Fe Ballrooms
Thursday AM: Lumpkins Ballroom
Modern Techniques in Structural Biology
8:00 Registration Opens - Breakfast buffet on the Mezzanine
9:00 Reconstructing Conformational States & Densities in CryoEM with RECOVAR – Marc Aurèle T. Gilles - Assistant Professor, Department of Mathematics, Princeton University
9:30 Bridging the Gap: Unlocking the Potential of CryoEM for Dynamic Ensembles – Claudio Catalano, Nanoimaging Services
10:00 Break
10:30 CryoDRGN: Advances in Deep Learning for Reconstructing Protein Structure & Dynamics– Rishwanth Raghu - PhD Candidate, Zhong Lab, Princeton University
11:15 Molecular-Dynamics Simulations for Protein Crystallography – Michael Wall - Senior Scientist, Los Alamos National Laboratory
12:00 Lunch Break (on own)
Thursday PM: Lumpkins Ballroom
Separating the Wheat from the Chaff: Where and When AI Works in Drug Discovery
2:00 GEMS: Combing AI and Physics To Advance Small Molecule Drug Discovery – Michael LeVine - Head of Computational Chemistry, Director of Computational Biophysics, Genesis Therapeutics
2:30 Towards Emulation of Molecular Dynamics with Generative Deep Learning – Bowen Jing - PhD Candidate, Berger Group, CSAIL, MIT
3:00 Break
3:30 An Introduction to Modern Genomic Foundation Models - Simon Handley - Sr. AI/ML Solutions Architect, AWS Healthcare and Life Sciences
4:00 Balancing Utility & Synthesizability for Actionable AI-driven Molecular Design – Jenna Fromer - PhD Candidate, Coley Group, MIT
4:30 Artificial Intelligence in Drug Discovery – Revolution, Evolution, or Complete Nonsense – Pat Walters - Chief Data Officer, Relay Therapeutics
5:00 Closing Remarks - Geoff Skillman, Vice President of R&D, BU Head
6:00 Conference Dinner at Casa España, 321 W San Francisco St. Santa Fe, NM
Registration for CUP is now open. Reserve your spot today!
Hotel Reservations:
Discounted Hotel Rates at La Fonda are available until February 10th and can be booked here or by calling 1 (800) 523 5002.
Penny J. Gilmer Memorial Grant:
To encourage scientists starting out in the computational chemistry field, OpenEye awards several travel grants to CUP. These grants are available to graduate students and post-docs of underrepresented genders in computational chemistry who intend to present their research at CUP. Apply here.