BiochemistryJournal of Chemical Information and ModelingPeer-reviewed
Decoding the Conformational Dynamics and Hyperactivity of Histone H3K36 N-Methyltransferase in Oncogenic Mutations via tICA and Markov State Modeling
Tejas V. Shah, Sahar Heidari, Jakub Rydzewski, Hedieh Torabifard
This study uses molecular dynamics simulations to show that oncogenic NSD2 mutations enhance catalytic efficiency by reorganizing conformational dynamics rather than destabilizing the enzyme.
DOI 10.1021/acs.jcim.6c01817