Systematic molecular dynamics, MM-PBSA, and ab initio approaches to the saquinavir resistance mechanism in HIV-1 PR due to 11 double and multiple mutations.
Tzoupis H, Leonis G, Avramopoulos A, Mavromoustakos T, Papadopoulos MG.
Tzoupis H, et al.
J Phys Chem B. 2014 Aug 14;118(32):9538-52. doi: 10.1021/jp502687q. Epub 2014 Jul 31.
J Phys Chem B. 2014.
PMID: 25036111
In a previous work, we systematically examined seven single mutations that are associated with saquinavir (SQV) resistance in HIV-1 protease (Tzoupis, H.; Leonis, G.; Mavromoustakos, T.; Papadopoulos, M. G. J. Chem. Theory Comput. 2013, 9, 1754-1764). ...
In a previous work, we systematically examined seven single mutations that are associated with saquinavir (SQV) resistance in HIV-1 protease …