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Article

Prediction of pKa and redox properties in the thioredoxin superfamily.

Protein science : a publication of the Protein Society - 1 Oct 2004

Moutevelis Efrosini, Warwicker Jim

Abstract excerpt

Electrostatic interactions play important roles in diverse biological phenomena controlling the function of many proteins. Polar molecules can be studied with the FDPB method solving the Poisson-Boltzmann equation on a finite difference grid. A method for the prediction of pK(a)s and redox potentials in the thioredoxin superfamily is introduced. The results are compared with experimental pK(a) data where...

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Identifiers

PMID: 15340164
DOI: 10.1110/ps.04804504
PMCID: PMC2286559

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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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