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 photoisomeriza...

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Bibliographic Details
Published inPhysical chemistry chemical physics : PCCP Vol. 13; no. 9; pp. 3645 - 3648
Main Authors WEINGART, Oliver, ALTOE, Piero, STENTA, Marco, BOTTONI, Andrea, ORLANDI, Giorgio, GARAVELLI, Marco
Format Journal Article
LanguageEnglish
Published Cambridge Royal Society of Chemistry 01.01.2011
Subjects
Chemistry
Exact sciences and technology
Excitation
General and physical chemistry
Hydrogen - chemistry
Isomerism
Isomerization
Mathematical analysis
Photochemical
Photochemistry
Physical chemistry
Physical chemistry of induced reactions (with radiations, particles and ultrasonics)
Quantum Theory
Retinaldehyde - chemistry
Rhodopsin - chemistry
Sampling
Trajectories
Visual
Motion
Hydrogen
Photoisomerization
Calculation
Cis trans isomerization
Photochemical reaction
Trajectory
Sampling
Structure
Excited state
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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.
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ISSN:1463-9076
1463-9084
DOI:10.1039/c0cp02496a