Dima Lupyan

@newyorkdimka.bsky.social

Computational Chemist/Alchemist/Product Manager @ Schrödinger Inc.

🌍 In the world of drug discovery, knowing a drug's residence time (τ) on its target can significantly impact its efficacy. Our new study presents innovative methods for predicting τ efficiently and accurately! 🧵🧵🧵

correlation plot of experimental vs. predicted residence times, using Schrödinger's Unbinding Kinetics workflow