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Article

Free-energy perturbation simulation on transition states and redesign of butyrylcholinesterase.

Biophysical journal - 4 Mar 2009

Yang Wenchao, Pan Yongmei, Zheng Fang, Cho Hoon, Tai Hsin-Hsiung, Zhan Chang-Guo

Abstract excerpt

It is recognized that an ideal anti-cocaine treatment is to accelerate cocaine metabolism by producing biologically inactive metabolites via a route similar to the primary cocaine-metabolizing pathway, i.e., butyrylcholinesterase (BChE)-catalyzed hydrolysis of cocaine. BChE mutants with a higher...

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Identifiers

PMID: 19254552
DOI: 10.1016/j.bpj.2008.11.051
PMCID: PMC2717303

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 2 Sept 2026. Prepared record publication-19254552-2026-09-02.2. Manifest publication-graph-cohort-2026-09-02.2.

Source receipt: PubMed via Helena Literature Corpus, retrieved 2 Sept 2026.

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