Combined QM/MM study of the opsin shift in bacteriorhodopsin
Combined quantum mechanical and molecular mechanical (QM/MM) calculations and molecular dynamics simulations of bacteriorhodopsin (bR) in the membrane matrix have been carried out to determine the factors that make significant contributions to the opsin shift. We found that both solvation and intera...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 23(2002), 1 vom: 15. Jan., Seite 96-105 |
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| Format: | Aufsatz |
| Sprache: | English |
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2002
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, U.S. Gov't, Non-P.H.S. Research Support, U.S. Gov't, P.H.S. Amino Acids Rod Opsins Bacteriorhodopsins 53026-44-1 Retinaldehyde RR725D715M Methanol |