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A QM/MM study of the initial excited state dynamics of green-absorbing proteorhodopsin

The primary photochemical reaction of the green-absorbing proteorhodopsin is studied by means of a hybrid quantum mechanics/molecular mechanics (QM/MM) approach. The simulations are based on a homology model derived from the blue-absorbing proteorhodopsin crystal structure. The geometry of retinal and the su Photoinduced Processes in Nucleic Acids and Proteins

Authors:   Veniamin A. Borin; Christian Wiebeler; Igor Schapiro
Journal:   Faraday Discussions
Volume:   207
Pages:   137
DOI:   10.1039/C7FD00198C
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