BiochemistryThe Journal of Physical Chemistry BPeer-reviewed
Revealing imatinib-kinase specificity via analyzing changes in protein dynamics and computing molecular binding affinity
William Troxel, Emily Vig, Chia‐en A. Chang
This study uses molecular dynamics simulations to analyze imatinib-kinase interactions, identifying factors that predict binding specificity and guide drug repurposing.
DOI 10.1021/acs.jpcb.6c01412