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Article

Hydride transfer catalysed by Escherichia coli and Bacillus subtilis dihydrofolate reductase: coupled motions and distal mutations.

Philosophical transactions of the Royal Society of London. Series B, Biological sciences - 29 Aug 2006

Hammes-Schiffer Sharon, Watney James B

Abstract excerpt

This paper reviews the results from hybrid quantum/classical molecular dynamics simulations of the hydride transfer reaction catalysed by wild-type (WT) and mutant Escherichia coli and WT Bacillus subtilis dihydrofolate reductase (DHFR). Nuclear quantum effects such as zero point energy and hydrogen tunnelling are significant in these reactions and substantially decrease the free energy barrier. The...

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Identifiers

PMID: 16873124
DOI: 10.1098/rstb.2006.1869
PMCID: PMC1647314

Genes

DHFR

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Source receipt: pubmed, retrieved 7 Sept 2026.

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