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Article

Mutational effects on the catalytic mechanism of cellobiohydrolase I from Trichoderma reesei.

The journal of physical chemistry. B - 5 May 2011

Yan Shihai, Li Tong, Yao Lishan

Abstract excerpt

QM/MD simulations are performed to study mutational effects on the glycosylation step of the oligosaccharide hydrolysis catalyzed by Trichoderma reesei cellobiohydrolase I. The potential of mean force along the reaction pathway is determined by the umbrella sampling method. A detailed mechanism is developed to illustrate the decrease in activity of the mutants. Our calculations demonstrate that (1) the E212Q...

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PMID: 21476560
DOI: 10.1021/jp200384m

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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