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Article

Inhibition of the activity of HIV-1 protease through antibody binding and mutations probed by molecular dynamics simulations.

Scientific reports - 26 Mar 2020

Badaya Apoorva, Sasidhar Yellamraju U

Abstract excerpt

HIV-1 protease is an essential enzyme in the life cycle of the HIV-1 virus. The conformational dynamics of the flap region of the protease is critical for the ligand binding mechanism, as well as for the catalytic activity. The monoclonal antibody F11.2.32 raised against HIV-1 protease inhibits its activity on binding. We have studied the conformational dynamics of protease in its free, inhibitor ritonavir and...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 32218488
DOI: 10.1038/s41598-020-62423-y
PMCID: PMC7098958

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 6 Sept 2026. Manifest publication-graph-cohort-2026-09-06.1.

Source receipt: pubmed, retrieved 6 Sept 2026.

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