Complete-active-space self-consistent-field/Amber parameterization of the Lys296-retinal-Glu113 rhodopsin chromophore-counterion system

Theoretical Chemistry Accounts

Volumn 112, Issue 4, 2004, Pages 335-341

  Ferré, Nicolas ^a   Cembran, Alessandro ^b   Garavelli, Marco ^b   Olivucci, Massimo ^a,c  

^a UNIVERSITY OF SIENA   (Italy)

^b UNIVERSITY OF BOLOGNA   (Italy)

^c Centro per Lo Studio Dei Sistemi Complessi   (Italy)

Author keywords

Parameterization; Photoisomerization; Quantum mechanics Molecular mechanics; Retinal; Rhodopsin

Indexed keywords

AMBER; RETINAL; RHODOPSIN;

AB INITIO CALCULATION; CONFERENCE PAPER; ENERGY; ISOMERIZATION; MOLECULAR MECHANICS; PHOTOCHEMISTRY; QUANTUM MECHANICS; VALIDATION PROCESS;

EID: 4944237953     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-004-0593-0     Document Type: Conference Paper

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