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Article

A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants.

Proteins - 1 Jan 2006

Barone Vincenzo, De Rienzo Francesca, Langella Emma, Menziani M Cristina, Rega Nadia, Sola Marco

Abstract excerpt

Semiquantitative relationships between thermodynamic parameters of Cu2+ reduction experimentally measured for a series of azurin mutants and the solvation free energy of the oxidized state of the proteins were derived. Solvation free energy calculations were carried out within an ONIOM/PCM scheme specifically adapted to this protein series. The method proved to be able to capture the main determinants of the...

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PMID: 16287118
DOI: 10.1002/prot.20772

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

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