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-...
| Main Authors: | , , , |
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| Format: | Online |
| Language: | English |
| Published: |
The Biophysical Society of Japan (BSJ)
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4629650/ |