3 papers
q-bio.BM2026
SwitchCraft: A Programmatic Framework for Designing State-Switching Proteins
Bowen Jing, Mihir Bafna, Anisha Parsan +5
Multistate mechanisms underlie many of the complex functions observed in natural proteins. The ability to rationally design multistate proteins would have transformative implicatio…
q-bio.BM2026
Learning residue level protein dynamics with multiscale Gaussians
Mihir Bafna, Bowen Jing, Bonnie Berger
Many methods have been developed to predict static protein structures, however understanding the dynamics of protein structure is essential for elucidating biological function. Whi…
cs.LG2026
MMAI Gym for Science: Training Liquid Foundation Models for Drug Discovery
Maksim Kuznetsov, Zulfat Miftahutdinov, Rim Shayakhmetov +17
General-purpose large language models (LLMs) that rely on in-context learning do not reliably deliver the scientific understanding and performance required for drug discovery tasks…