Improved density functional theory/electrostatic calculation of the His291 protonation state in cytochrome c oxidase: Self-consistent charges for solvation energy calculation

Journal of Physical Chemistry B

Volumn 110, Issue 24, 2006, Pages 12162-12166

  Makhov, D V ^a   Popović, Dragan M ^a   Stuchebrukhov, Alexei A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROSTATICS; NUCLEAR ENERGY; PROBABILITY DENSITY FUNCTION; PROTONS; REACTION KINETICS;

ATOMIC CHARGES; CYTOCHROME C OXIDASE (CCO); PROTON PUMPING MECHANISM; SOLVATION ENERGY;

ENZYMES;

EID: 33745774349     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0608630     Document Type: Article

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