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[Calculation of spectral shifts of the mutants of bacteriorhodopsin by QM/MM methods].

Biofizika - 1 Jan 2000

Orekhov F S, Shaĭtan A K, Shaĭtan K V

Abstract excerpt

In the present work spectral shifts of adsorption maxima for the number of mutants of bacteriorhodopsin have been calculated using QM/MM hybrid methodology. Along with this calculation an analysis of possible mechanisms of spectral modulation has been performed. Also we have carried out a comparative analysis of modern quantum chemical methods in respect of the level of optical spectra predictability they allow....

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PMID: 22594277

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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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