Microscopic pK a analysis of Glu286 in cytochrome c oxidase (Rhodobacter sphaeroides): Toward a calibrated molecular model

Biochemistry

Volumn 48, Issue 11, 2009, Pages 2468-2485

  Ghosh, Nilanjan ^a,b,c   Xavier, Prat Resina ^a,b,c   Gunner, M R ^a,b   Cui, Qiang ^a,b,c  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

^c UNIVERSITY OF WISCONSIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITES; BOUND WATERS; COMPLEX SYSTEMS; COMPUTATIONAL FRAMEWORKS; COMPUTATIONAL PROTOCOLS; CYTOCHROME C OXIDASE; FREE ENERGY SIMULATIONS; HYDROPHOBIC CAVITIES; INTERNAL CONSISTENCIES; MEMBRANE PROTEINS; MICROSCOPIC LEVELS; MICROSCOPIC SIMULATIONS; MOLECULAR MODELS; NET CHARGES; PROTON LEAKAGES; PROTON TRANSFER KINETICS; PROTON-PUMPING; PROTONATED; PROTONATION STATE; QUANTUM MECHANICAL/MOLECULAR MECHANICALS; REPRODUCIBILITY; RHODOBACTER SPHAEROIDES; SIGNIFICANT IMPACTS; SOLUBLE PROTEINS; STRINGENT TESTS; T4 LYSOZYMES; THERMODYNAMIC INTEGRATIONS; WATER MOLECULES;

CARBON NANOTUBES; HYDROPHOBICITY; MOLECULAR MECHANICS; MOLECULAR MODELING; MOLECULES; PROTONATION; PUMPS; REAL TIME SYSTEMS; SYSTEMATIC ERRORS;

PROTON TRANSFER;

ASPARTIC ACID; BACTERIORHODOPSIN; CYTOCHROME C OXIDASE; GLUTAMIC ACID; BACTERIAL PROTEIN; GLUTAMINE;

ARTICLE; CONTROLLED STUDY; HYDROPHOBICITY; MOLECULAR MODEL; PKA; PRIORITY JOURNAL; PROTON TRANSPORT; RHODOBACTER SPHAEROIDES; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ENZYMOLOGY; KINETICS; THERMODYNAMICS;

RHODOBACTER SPHAEROIDES;

BACTERIAL PROTEINS; COMPUTER SIMULATION; ELECTRON TRANSPORT COMPLEX IV; GLUTAMINE; KINETICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; RHODOBACTER SPHAEROIDES; THERMODYNAMICS;

EID: 64849103999     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi8021284     Document Type: Article

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