Sep 9, 2011 · In this article, we explore the application of atomistic molecular dynamics simulations to quantify the level of resistance of a patient-derived ...
Oct 24, 2011 · In this article, we explore the application of atomistic molecular dynamics simulations to quantify the level of resistance of a patient-derived ...
Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations · 10 Citations · 47 References.
TL;DR: In this article, the authors make a systematic UQ analysis of a widely used molecular dynamics code (NAMD), applied to estimate binding free energy of a ...
Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations. https://doi.org/10.1021/ci200308r · Full text.
MD simulations are used to examine how viral mutations cause the drug resistance at the atomic level. A reduction in the binding affinity of the PR inhibitors ...
Sep 8, 2023 · \<br\>Molecular dynamics simulation study of the HIV-1 protease inhibition using fullerene and new fullerene derivatives of carbon ...
These findings suggest that different molecular mechanisms contribute to resistance in active-site and nonactive-site mutants and propose a mechanism for the ...
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Wright, D.W.; Coveney, P.V. Resolution of discordant HIV-1 protease resistance rankings using molecular dynamics simulations. J. Chem. Inf. Model. 2011, 51 ...
Q1. American Chemical Society (ACS). Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations. Wright D.W., Coveney ...