Binding Affinity Prediction

Summary

Portal is the home of the AI for drug discovery community. Join for more details on this talk and to connect with the speakers: ... Keynote Presentation By Thomas Evangelidis, Research Scientist, Institute of Organic Chemistry and Biochemistry of the Czech ... For UROP fall project pitch 2026. Thank you for your time and consideration. Three-minute summary video by Joelle N. Eaves from the Woldring Lab at Michigan State University on the following article: Li, S., ... Presented by Natasha Murakowska on September 9th, 2026 abstract: Machine learning in protein design is increasingly limited ... Ki isn't IC50. In this video, we break down two of the most important parameters in drug-receptor interactions: antagonist Essentials of Computational Drug Discovery (4-part series) Essentials Part 3 - Does a high iPTM score mean your protein will bind well? Short answer: not necessarily. Michael and Leo dig into the Aalpha Bio ... Is complex always better? Discover why simple 2D XGBoost models sometimes outperform complex 3D Graph Neural Networks ...