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Article

Efficient a priori identification of drug resistant mutations using Dead-End Elimination and MM-PBSA.

Journal of chemical information and modeling - 25 Jun 2012

Safi Maria, Lilien Ryan H

Abstract excerpt

Active site mutations that disrupt drug binding are an important mechanism of drug resistance. Computational methods capable of predicting resistance a priori are poised to become extremely useful tools in the fields of drug discovery and treatment design. In this paper, we describe an approach t...

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Identifiers

PMID: 22651699
DOI: 10.1021/ci200626m

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 4 Sept 2026. Prepared record publication-22651699-2026-09-04.2. Manifest publication-graph-cohort-2026-09-04.2.

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

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