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Article

Predicting mutation-induced Stark shifts in the active site of a protein with a polarized force field.

The journal of physical chemistry. A - 25 Jul 2013

Wang Xianwei, He Xiao, Zhang John Z H

Abstract excerpt

The electric field inside a protein has a significant effect on the protein structure, function, and dynamics. Recent experimental developments have offered a direct approach to measure the electric field by utilizing a nitrile-containing inhibitor as a probe that can deliver a unique vibration to the specific site of interest in the protein. The observed frequency shift of the nitrile stretching vibration...

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Identifiers

PMID: 23517423
DOI: 10.1021/jp312063h

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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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