Color tuning in rhodopsins: The mechanism for the spectral shift between bacteriorhodopsin and sensory rhodopsin II

Journal of the American Chemical Society

Volumn 128, Issue 33, 2006, Pages 10808-10818

  Hoffmann, Michael ^a   Wanko, Marius ^a   Strodel, Paul ^b   König, Peter H ^a   Frauenheim, Thomas ^a   Schulten, Klaus ^c   Thiel, Walter ^d   Tajkhorshid, Emad ^c   Elstner, Marcus ^a,b  

^a UNIVERSITY OF PADERBORN   (Germany)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

^c UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^d MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; AMINO ACIDS; BACTERIA; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; OPTICAL PROPERTIES; PROTONS; VIBRATION CONTROL;

BACTERIORHODOPSINS; SENSORY RHODOPSIN II; VIBRATIONAL PROPERTIES;

PROTEINS;

BACTERIORHODOPSIN; RHODOPSIN;

ARTICLE; CHROMATOPHORE; COLOR; CRYSTAL STRUCTURE; DIPOLE; ENERGY; GEOMETRY; LIGHT; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NONHUMAN; PROTEIN ANALYSIS; PROTON TRANSPORT; QUANTUM MECHANICS; SPECTROSCOPY;

BACTERIORHODOPSINS; BINDING SITES; COLOR; ELECTROCHEMISTRY; HALORHODOPSINS; MODELS, MOLECULAR; PROTEIN CONFORMATION; SENSORY RHODOPSINS;

EID: 33747787695     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja062082i     Document Type: Article

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105. Whether the predicted state crossing is realistic or not, cannot be safely concluded from the current calculations, since the accuracy of SORCI and CASPT2 for the doubly excited state energy may be lower than for the singly excited one and no experimental evidence has been put forward about the first. Hence, we omit further discussion of the doubly excited state.
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108. 44,98.