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CUP XXIII - Santa Fe March 5-7, 2024

CUP XXIII - Santa Fe March 5-7, 2024

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. This year, in addition to a day of reports from OpenEye scientists, we will have two keynote speakers and four half-day sessions planned on the topics below.


Tuesday - March 5th, 2024

OpenEye Update: 9am - 12pm
Lunch: 12pm - 2pm
OpenEye Update: 2pm - 5pm

Frank Brown Industry Perspective: Christian Cortis, COO of Tectonic Therapeutics


Wednesday - March 6th, 2024

Morning Session: Cheating at very large scale
As virtual databases get larger and larger, how do we search such 3D chemical spaces efficiently?

Eric Martin, Novartis
Chen Cheng, Genentech
Mark McGann, OpenEye
Pat Walters, Relay Therapeutics

Afternoon Session: Hype vs. Hope
Is the excitement around new techniques and technologies justified? Tell us of your experiences with LLMs, quantum computing, large-scale dynamics or any thing else that either lives up to its hype or doesn’t.

Kim Branson, GSK
Ade Ojewole, NVIDIA
Hunter Elliott, BigHat
Matt Welborn, Iambic

Cyrus Levinthal Keynote Address: Charlotte Deane, Oxford University:

Harnessing AI to Advance Biotherapeutics: From Structure to Affinity Prediction
Antibodies are cornerstone immune system players, vital for vaccine responses and emerging as powerful biotherapeutics. However, traditional development can be lengthy and expensive, exceeding $1 billion. This talk explores how cutting-edge computational methods, particularly machine learning, hold immense promise for revolutionising biotherapeutics development. I will showcase our pioneering tools ranging from rapid, accurate structure prediction to binding affinity forecasting, highlighting both their potential and current limitations.


Thursday - March 7th, 2024

Morning Session: Structural Toxicology
As techniques such as cryoEM remove previous limits on what can be resolved, how much of ADME can we begin to model?

Claudio Catalano, Nanoimaging
Olgun Guvench, U of New England
Khoa Ngo, UC Davis
David LeBard, OpenEye

Afternoon Session: Affinity
Although free-energy methods have made a significant impact, they aren’t as robust or accurate as we’d like.

David Mobley, UC Irvine
Yutong Zhao, Relay Therapeutics
Mark Ams, NM Tech
Kim Sharp, U Penn
Frank Pickard, Moderna


Register for CUP XXIII

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.

Hotel Reservations:
Discounted Hotel Rates at La Fonda can be found here.