Molecular Dynamics-Guided Design and Chemoproteomic Profiling of Covalent Kinase Activity Probes
Pratyasha Chakraborty, Anthony J. Carlos, Trayder Thomas, Kyle Ghaby, Shaghayegh Fathi, Mukta Sharma, Ngoc Kim Nguyen, Mason Farmwald, Lydia Blachowicz, Shaopeng Yu, Kavya Smitha Pillai, Benoı̂t Roux, Raymond E. Moellering
This paper designs and tests covalent kinase activity probes using computational methods and shows they target multiple kinases in live cells with distinct kinetics and conformations.
bioRxiv · Oct 17, 2025 · PreprintBiochemistry