Millisecond Dynamics Of BTK Reveal Kinome-Wide Conformational Plasticity Within The Apo Kinase Domain
M. M. Sultan, R. A. Denny, R. Unwalla, F. Lovering, V. S. Pande
This study uses molecular dynamics and Markov state models to analyze BTK's conformational dynamics, revealing new druggable states and the role of protonation in modulating its activity.
bioRxiv · May 9, 2017Biophysics