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Article

Drug pressure selected mutations in HIV-1 protease alter flap conformations.

Journal of the American Chemical Society - 21 Jan 2009

Galiano Luis, Ding Fangyu, Veloro Angelo M, Blackburn Mandy E, Simmerling Carlos, Fanucci Gail E

Abstract excerpt

The flap conformations of two drug-resistant HIV-1 protease constructs were characterized by molecular dynamic (MD) simulations and distance measurements with pulsed electron paramagnetic resonance (EPR) spectroscopy. MD simulations accurately regenerate the experimentally determined distance profiles and provide structural interpretations of the EPR data. The combined analyses show that the average conformation...

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Identifiers

PMID: 19140783
DOI: 10.1021/ja807531v
PMCID: PMC2705922

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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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