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Article

Spectral tuning in visual pigments: an ONIOM(QM:MM) study on bovine rhodopsin and its mutants.

The journal of physical chemistry. B - 5 Jun 2008

Altun Ahmet, Yokoyama Shozo, Morokuma Keiji

Abstract excerpt

We have investigated geometries and excitation energies of bovine rhodopsin and some of its mutants by hybrid quantum mechanical/molecular mechanical (QM/MM) calculations in ONIOM scheme, employing B3LYP and BLYP density functionals as well as DFTB method for the QM part and AMBER force field for the MM part. QM/MM geometries of the protonated Schiff-base 11- cis-retinal with B3LYP and DFTB are very similar to...

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Identifiers

PMID: 18473437
DOI: 10.1021/jp709730b
PMCID: PMC2491561

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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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