Evolution of drug resistance drives progressive destabilizations in functionally conserved molecular dynamics of the flap region of the HIV-1 protease
Madhusudan Rajendran, Maureen C. Ferran, Leora Mouli, Eric T. Everingham, Gregory A. Babbitt, Miranda L. Lynch
The paper uses machine learning and molecular dynamics to analyze how drug-resistant mutations in HIV-1 protease affect flap region dynamics and function.
bioRxiv · Nov 22, 2022 · PreprintBioinformatics