Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding

• DOI: 10.1021/acs.jpcb.4c07794
• Publication Date: 2025-03-07T19:23:36Z
• Authors: Sukrit Singh; Vytautas Gapsys; Matteo Aldeghi; David Schaller; Aziz M. Rangwala; Jessica B. White; Joseph P. Bluck; Jenke Scheen; William G. Glass; Jiaye Guo; Sikander Hayat; Bert L. de Groot; Andrea Volkamer; Clara D. Christ; Markus A. Seeliger; John D. Chodera