Investigation of the S0→S1 excitation in bacteriorhodopsin with the ONIOM(MO:MM) hybrid method

Theoretical Chemistry Accounts

Volumn 109, Issue 3, 2003, Pages 125-132

  Vreven, Thom ^a,b   Morokuma, Keiji ^a  

^a EMORY UNIVERSITY   (United States)

^b GAUSSIAN INC   (United States)

Author keywords

Bacteriorhodopsin; Hybrid methods; ONIOM; Opsin shift; QM MM

Indexed keywords

BACTERIORHODOPSIN; PROTEIN;

AMINO ACID ANALYSIS; ANALYTIC METHOD; CALCULATION; CHROMATOPHORE; CONFERENCE PAPER; ENERGY; GEOMETRY; MOLECULAR MECHANICS; MOLECULAR MODEL; POLARIZATION; PREDICTION; PROTEIN FUNCTION; PROTEIN STRUCTURE; PROTON MOTIVE FORCE; REDUCTION; X RAY ANALYSIS;

EID: 0038664362     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-002-0418-y     Document Type: Conference Paper

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