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Article

Resolution of discordant HIV-1 protease resistance rankings using molecular dynamics simulations.

Journal of chemical information and modeling - 24 Oct 2011

Wright David W, Coveney Peter V

Abstract excerpt

The emergence of drug resistance is a major challenge for the effective treatment of HIV. In this article, we explore the application of atomistic molecular dynamics simulations to quantify the level of resistance of a patient-derived HIV-1 protease sequence to the inhibitor lopinavir. A comparative drug ranking methodology was developed to compare drug resistance rankings produced by the Stanford HIVdb, ANRS,...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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PMID: 21902276
DOI: 10.1021/ci200308r

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