A Hit Prioritization Strategy for Compound Library Screening Using LiP-MS and Molecular Dynamics Simulations Applied to KRas G12D Inhibitors
Foroughsadat Absar, Brandon Novy, Edith Nagy, Evgeniy V. Petrotchenko, Konstantin Popov, Jason B. Cross, Roopa Thapar, Christoph H. Borchers
This study combines LiP-MS and molecular dynamics simulations to prioritize KRas G12D inhibitors by analyzing cleavage site protection and binding affinity.
Analytical Chemistry · Sep 12, 2025Peer-reviewedBiophysics