Accurate evaluation of the absorption maxima of retinal proteins based on a hybrid QM/MM method

Journal of Computational Chemistry

Volumn 27, Issue 14, 2006, Pages 1623-1630

  Matsuura, Azuma ^a   Sato, Hiroyuki ^a   Houjou, Hirohiko ^b   Saito, Shino ^c   Hayashi, Tomohiko ^c   Sakurai, Minoru ^c  

^a FUJITSU LABORATORIES LTD   (Japan)

^b INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^c TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Excitation energy; PYP; QM MM calculation; Retinal protein; RPA

Indexed keywords

ABSORPTION; CHROMOPHORES; COMPUTATIONAL COMPLEXITY; COMPUTATIONAL METHODS; ERROR ANALYSIS;

EXCITATION ENERGY; PYP; QM/MM CALCULATION; RETINAL PROTEINS; RPA;

PROTEINS;

EYE PROTEIN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; PHOTORECEPTOR; QUANTUM THEORY;

COMPUTER SIMULATION; EYE PROTEINS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PHOTORECEPTORS; QUANTUM THEORY;

EID: 33749176449     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20432     Document Type: Article

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