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Free energy calculations on dimer stability of the HIV protease using molecular dynamics and a continuum solvent model.

Journal of molecular biology - 3 Nov 2000

Wang W, Kollman P A

Abstract excerpt

Dimerization of HIV-I protease (HIV PR) monomers is an essential prerequisite for viral proteolytic activity and the subsequent generation of infectious virus particles. Disrupting dimerization of the enzyme can inhibit its activity. We have calculated the relative binding free energies between d...

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PMID: 11054292
DOI: 10.1006/jmbi.2000.4057

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 4 Sept 2026. Prepared record publication-11054292-2026-09-04.2. Manifest publication-graph-cohort-2026-09-04.2.

Source receipt: PubMed via Helena Literature Corpus, retrieved 4 Sept 2026.

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