Bao Zhang

V600E biases the BRAF kinase domain toward an activation-compatible conformational ensemble through long-range dynamic rewiring

How oncogenic mutations reshape kinase conformational ensembles to favor aberrant signaling remains incompletely understood. Here, we combined microsecond-scale molecular dynamics simulations, Markov state models, and neural relational inference to investigate how the V600E mutation remodels the dynamics of the inactiv...