| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6493043 | Journal of Photochemistry and Photobiology A: Chemistry | 2012 | 12 Pages |
Abstract
⺠Native H-bonding network of the PYP chromophore has been studied theoretically. ⺠H-bonds donated by Tyr42/Glu46/Cys69 amino acids have been explicitly addressed. ⺠Tyr42/Glu46 H-bonds suppress single-bond torsion allowing for double-bond torsion. ⺠Cys69 H-bond counteracts Tyr42/Glu46 H-bonds, favoring single-bond torsion. ⺠Suppression of single-bond torsion can be enhanced by shorter Tyr42/Glu46 H-bonds.
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Bioengineering
Authors
Evgeniy V. Gromov, Irene Burghardt, Horst Köppel, Lorenz S. Cederbaum,