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

Bibliographic Details
Title: Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding.
Authors: Singh, Sukrit, Gapsys, Vytautas, Aldeghi, Matteo, Schaller, David, Rangwala, Aziz M., White, Jessica B., Bluck, Joseph P., Scheen, Jenke, Glass, William G., Guo, Jiaye, Hayat, Sikander, de Groot, Bert L., Volkamer, Andrea, Christ, Clara D., Seeliger, Markus A., Chodera, John D.
Source: Journal of Physical Chemistry B; 3/20/2025, Vol. 129 Issue 11, p2882-2902, 21p
Database: Supplemental Index
More Details
ISSN:15206106
DOI:10.1021/acs.jpcb.4c07794
Published in:Journal of Physical Chemistry B
Language:English