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Article

Effect of the explicit flexibility of the InhA enzyme from Mycobacterium tuberculosis in molecular docking simulations.

BMC genomics - 22 Dec 2011

Cohen Elisangela M L, Machado Karina S, Cohen Marcelo, de Souza Osmar Norberto

Abstract excerpt

BACKGROUND: Protein/receptor explicit flexibility has recently become an important feature of molecular docking simulations. Taking the flexibility into account brings the docking simulation closer to the receptors' real behaviour in its natural environment. Several approaches have been developed to address this problem. Among them, modelling the full flexibility as an ensemble of snapshots derived from a...

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PMID: 22369213
DOI: 10.1186/1471-2164-12-S4-S7
PMCID: PMC3287590

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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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