Product formation in rhodopsin by fast hydrogen motions.
The photochemical cis-trans isomerization of retinal in rhodopsin is investigated by structure sampling and excited state QM/MM trajectories with surface hopping. The calculations uncover the motions responsible for photoproduct formation and elucidate the reasons behind the efficient photoisomerization in the primary event of visual transduction.
Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhem-Platz 1, 45470 Mülheim an der Ruhr, Germany. Weingart@mpi-muelheim.mpg.de
Oliver
O
Weingart
Piero
P
Altoè
Marco
M
Stenta
Andrea
A
Bottoni
Giorgio
G
Orlandi
Marco
M
Garavelli
D006859:Hydrogen / Q000737:chemistry*; D007536:Isomerism; D011789:Quantum Theory; D012172:Retinaldehyde / Q000737:chemistry; D012243:Rhodopsin / Q000737:chemistry*
D006859:Hydrogen; D012243:Rhodopsin; D012172:Retinaldehyde