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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 …
Biologically relevant conformational features of linear and cyclic proteolipid protein (PLP) peptide analogues obtained by high-resolution nuclear magnetic resonance and molecular dynamics.
Kordopati GG, Tzoupis H, Troganis AN, Tsivgoulis GM, Golic Grdadolnik S, Simal C, Tselios TV. Kordopati GG, et al. Among authors: tzoupis h. J Comput Aided Mol Des. 2017 Sep;31(9):841-854. doi: 10.1007/s10822-017-0045-2. Epub 2017 Jul 29. J Comput Aided Mol Des. 2017. PMID: 28756481
17 results