Product formation in rhodopsin by fast hydrogen motionsElectronic supplementary information (ESI) available: Computational details, discussion and graphs on statistical analysis, energy storage and limitations of methods. See DOI: 10.1039/c0cp02496a

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 photoisomeri...

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Bibliographic Details
Main Authors Weingart, Oliver, Altoè, Piero, Stenta, Marco, Bottoni, Andrea, Orlandi, Giorgio, Garavelli, Marco
Format Journal Article
LanguageEnglish
Published 15.02.2011
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Summary: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. QM/MM simulations of the rhodopsin photoreaction uncover the motions responsible for efficient photoproduct formation in the primary event of visual transduction.
Bibliography:10.1039/c0cp02496a
Electronic supplementary information (ESI) available: Computational details, discussion and graphs on statistical analysis, energy storage and limitations of methods. See DOI
ISSN:1463-9076
1463-9084
DOI:10.1039/c0cp02496a