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Article

Molecular dynamics simulations of 14 HIV protease mutants in complexes with indinavir.

Journal of molecular modeling - 1 Dec 2004

Chen Xianfeng, Weber Irene T, Harrison Robert W

Abstract excerpt

The molecular mechanisms of HIV drug resistance were studied using molecular dynamics simulations of HIV-1 protease complexes with the clinical inhibitor indinavir. One nanosecond molecular dynamics simulations were run for solvated complexes of indinavir with wild type protease, a control variant and 12 drug resistant mutants. The quality of the simulations was assessed by comparison with crystallographic and...

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Identifiers

PMID: 15597206
DOI: 10.1007/s00894-004-0205-x

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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