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Article

Laccase Redox Potentials: pH Dependence and Mutants, a QM/MM Study.

The journal of physical chemistry. B - 8 Sept 2016

Götze Jan P, Bühl Michael

Abstract excerpt

We have studied the T. versicolor laccase T1 site redox potential (RP) at the M06/6-311++G**/SDD(Cu) level of theory, employing QM/MM-optimized geometries (RI-BP86/def2-SVP/def2-TZVP(Cu):CHARMM) of the whole protein system with electronic embedding. The oxidation state of the trinuclear cluster was found to affect the T1 site RP by about 0.2-0.3 V, depending on the protein protonation state. The computed laccase...

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Identifiers

PMID: 27532685
DOI: 10.1021/acs.jpcb.6b04978

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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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