Full-Quantum chemical calculation of the absorption maximum of bacteriorhodopsin: a comprehensive analysis of the amino acid residues contributing to the opsin shift

Herein, the absorption maximum of bacteriorhodopsin (bR) is calculated using our recently developed method in which the whole protein can be treated quantum mechanically at the level of INDO/S-CIS//ONIOM (B3LYP/6-31G(d,p): AMBER). The full quantum mechanical calculation is shown to reproduce the so-...

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Detalles Bibliográficos
Autores principales: Hayashi, Tomohiko, Matsuura, Azuma, Sato, Hiroyuki, Sakurai, Minoru
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Biophysical Society of Japan (BSJ) 2012
Materias:
Regular Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4629650/
https://www.ncbi.nlm.nih.gov/pubmed/27493528
http://dx.doi.org/10.2142/biophysics.8.115

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4629650/
https://www.ncbi.nlm.nih.gov/pubmed/27493528
http://dx.doi.org/10.2142/biophysics.8.115

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