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Article

Elucidating the Interdependence of Drug Resistance from Combinations of Mutations.

Journal of chemical theory and computation - 14 Nov 2017

Ragland Debra A, Whitfield Troy W, Lee Sook-Kyung, Swanstrom Ronald, Zeldovich Konstantin B, Kurt-Yilmaz Nese, Schiffer Celia A

Abstract excerpt

HIV-1 protease is responsible for the cleavage of 12 nonhomologous sites within the Gag and Gag-Pro-Pol polyproteins in the viral genome. Under the selective pressure of protease inhibition, the virus evolves mutations within (primary) and outside of (secondary) the active site, allowing the protease to process substrates while simultaneously countering inhibition. The primary protease mutations impede inhibitor...

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Identifiers

PMID: 28915040
DOI: 10.1021/acs.jctc.7b00601
PMCID: PMC5927819

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