miniCUP Boston 2025 will be held on September 25th, 2025
OpenEye's miniCUP series brings our latest scientific advancements to you. Our upcoming miniCUP Boston is a single-day in-person gathering that will provide the opportunity to hear presentations from OpenEye and industry speakers, as well as to learn about the recent updates to the Orion® molecular design platform and our applications and toolkits. Come for the science, and stay for robust discussion at a cocktail reception following the event.
Location:
Bristol Myers Squibb
250 Water Street
CMX-189-Auditorium-West & CMX-190-Auditorium-East
Cambridge, MA 02141
Event Agenda:
miniCUP Boston begins at 9am and ends with a reception beginning at 5pm
Registration & Coffee/Tea/Pastries
Foundations:
Opening Remarks
Molecular Shape and Electrostatics: Unifying principles for success in drug discovery
AI in a small-data regime: Maximizing pKa and tautomer data using Gaussian Process Regression
Coffee/Tea break
Target Exploration:
Dude, Can I Bind Here: Asking the Right Questions for Cryptic Pocket Detection
Identification & exploration of novel sites for covalent docking
Lunch
Hit Identification:
Extreme-Scale Search…when Billions aren’t Enough
OMEGA: State of the Art Conformer Generation with Bayesian Sampling
Platform Advances:
DEMO: Orion Interactive Molecule Search for Chemists
Click Compute Cure? Enabling Modern Computational Design
Antibody Modeling Advancements
Coffee/Tea break
Lead Discovery & Optimization:
ML-Enabled Integration of Affinity Prediction and Lead Discovery: 3D-QSAR
Improving small molecule force fields to achieve accurate binding affinity estimates
Free Energy Prediction for Drug Discovery: Ideas at Breakfast, Discoveries by Lunch
Reception to follow
Registration for miniCUP Boston is now open. Reserve your spot today!
