Quantum refinement of protein structures: Implementation and application to the red fluorescent protein DsRed.M1

Journal of Physical Chemistry B

Volumn 114, Issue 46, 2010, Pages 15413-15423

  Hsiao, Ya Wen ^a   Sanchez Garcia, Elsa ^a   Doerr, Markus ^a   Thiel, Walter ^a  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; FLUORESCENCE; HYDROGEN BONDS; MECHANICS; MOLECULAR DYNAMICS; MOLECULES; OPTIMIZATION; PROTEINS; QUANTUM THEORY; SULFUR COMPOUNDS;

CHEMICAL INFORMATION; CLASSICAL MOLECULAR DYNAMICS; DETERMINATION OF PROTEINS; ELECTRONIC EXCITATION ENERGY; FORCE FIELDS; HYDROGEN BONDING NETWORK; MULTI REFERENCE CONFIGURATION INTERACTIONS; PROTEIN STRUCTURES; PROTONATED; QUANTUM MECHANICS; QUANTUM REFINEMENT; RED FLUORESCENT PROTEINS; REGIONS OF INTEREST; WATER MOLECULE; X RAY DATA;

CHROMOPHORES;

EID: 78649588488     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp108095n     Document Type: Article

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