Matcha model makes drug candidate screening more than 30 times faster

Ligand Pro, founded by Skoltech professors and a Skoltech Ph.D. student, has presented Matcha, an AI-powered molecular docking model that performs virtual drug screening 30 times faster than the large ...

Atomic-level simulations reveal rotational mechanism behind a critical biomolecular motor

The way a key cellular motor works at an atomic level has been uncovered by simulations conducted by RIKEN biophysicists.
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Scientists develop ultra‑robust machine‑learning models capable of stable molecular simulations at extreme temperatures

Researchers at The University of Manchester have created a groundbreaking physics‑informed machine‑learning model that can ...