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Article

Analysis of HIV protease binding pockets based on 3D shape and electrostatic potential descriptors.

Chemical biology & drug design - 1 Feb 2011

Reddy A Srinivas, Jalahalli Vivek, Kumar Sunil, Garg Rajni, Zhang Xiaoyu, Sastry G Narahari

Abstract excerpt

Using a shape analysis technique, a Dataset of 79 (19 wild-type and 60 mutated) HIV-1 protease crystal structures was analyzed for the shape changes in their binding pockets. The structures are reported with different bound inhibitors and consist of a variety of mutations. Several 3D-shape descriptors based on the volumetric shape function are calculated, in addition to the electrostatic potential (EP)-based...

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Identifiers

PMID: 21266017
DOI: 10.1111/j.1747-0285.2010.01065.x

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 5 Sept 2026. Manifest publication-graph-cohort-2026-09-05.1.

Source receipt: pubmed, retrieved 5 Sept 2026.

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