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Updated: Jul 13, 2025

Determination of the Gas-phase Acidities of Oligopeptides
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Determination of the Gas-phase Acidities of Oligopeptides

Published on: June 24, 2013

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准确预测蛋白质pKa值使用非平衡化学

Carter J Wilson1,2, Mikko Karttunen2,3,4, Bert L de Groot5

  • 1Department of Mathematics, The University of Western Ontario, N6A 5B7 London, Canada.

Journal of chemical theory and computation
|October 11, 2023
PubMed
概括

这项研究引入了一种计算方法,用于预测蛋白质残留的pKa值,其准确性与实验方法相比. 这种方法为了解蛋白质的行为和功能提供了一个可行的替代方案.

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