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Article

Cantilever-centric mechanism of cooperative non-active site mutations in HIV protease: Implications for flap dynamics.

Journal of molecular graphics & modelling - 1 Jul 2021

Sherry Dean, Worth Roland, Ismail Zaahida Sheik, Sayed Yasien

Abstract excerpt

The HIV-1 protease is an important drug target in antiretroviral therapy due to the crucial role it plays in viral maturation. A greater understanding of the dynamics of the protease as a result of drug-induced mutations has been successfully elucidated using computational models in the past. We performed induced-fit docking studies and molecular dynamics simulations on the wild-type South African HIV-1 subtype C...

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Source

Identifiers

PMID: 34030114
DOI: 10.1016/j.jmgm.2021.107931

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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