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Article

Quantum chemical modeling of rhodopsin mutants displaying switchable colors.

Physical chemistry chemical physics : PCCP - 28 Sept 2012

Melaccio Federico, Ferré Nicolas, Olivucci Massimo

Abstract excerpt

We look at the possibility to compute and understand the color change occurring upon mutation of a photochromic protein. Accordingly, ab initio multiconfigurational quantum chemical methods are used to construct basic quantum-mechanics/molecular-mechanics (QM/MM) models for a small mutant library of the sensory rhodopsin of Anabaena (Nostoc) sp. PCC7120 cyanobacterium. Together with the wild-type forms, a set of...

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PMID: 22699180
DOI: 10.1039/c2cp40940b

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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