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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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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Abstract 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.
AbstractList 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.
Author ALTOE, Piero
GARAVELLI, Marco
ORLANDI, Giorgio
WEINGART, Oliver
STENTA, Marco
BOTTONI, Andrea
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  givenname: Andrea
  surname: BOTTONI
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  organization: Dipartimento di Chimica G. Ciamicia, Universita' degli Studi di Bologna, Via Selmi 2, 40126 Bologna, Italy
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  givenname: Marco
  surname: GARAVELLI
  fullname: GARAVELLI, Marco
  organization: Dipartimento di Chimica G. Ciamicia, Universita' degli Studi di Bologna, Via Selmi 2, 40126 Bologna, Italy
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Keywords Motion
Hydrogen
Photoisomerization
Calculation
Cis trans isomerization
Photochemical reaction
Trajectory
Sampling
Structure
Excited state
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Snippet The photochemical cis-trans isomerization of retinal in rhodopsin is investigated by structure sampling and excited state QM/MM trajectories with surface...
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SubjectTerms 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
Title Product formation in rhodopsin by fast hydrogen motions
URI https://www.ncbi.nlm.nih.gov/pubmed/21243153
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