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Article

Calculation of pK(a) in proteins with the microenvironment modulated-screened coulomb potential.

Proteins - 1 Dec 2011

Shan Jufang, Mehler Ernest L

Abstract excerpt

The MM-SCP has been applied to predict pK(a) values of titratable residues in wild type and mutants of staphylococcal nuclease (SNase). The calculations were based on crystal structures made available by the Garcia-Moreno Laboratory. In the mutants, mostly deeply buried hydrophobic residues were replaced with ionizable residues, and thus their pK(a) values could be measured and calculated using various methods....

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Identifiers

PMID: 21748803
DOI: 10.1002/prot.23098
PMCID: PMC3310208

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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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