pKa of residue 66 in staphylococal nuclease. I. Insights from QM/MM simulations with conventional sampling

Journal of Physical Chemistry B

Volumn 112, Issue 28, 2008, Pages 8387-8397

  Ghosh, Nilanjan ^a   Cui, Qiang ^a  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INTEGRATION APPROACH; POTENTIAL FUNCTIONS; QUANTUM MECHANICAL/MOLECULAR MECHANICAL;

MOLECULAR MECHANICS;

MICROCOCCAL NUCLEASE; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ELECTRICITY; ENZYMOLOGY; GENETICS; METABOLISM; MUTATION; PROTEIN TERTIARY STRUCTURE; STAPHYLOCOCCUS; TITRIMETRY; X RAY CRYSTALLOGRAPHY;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ELECTROSTATICS; MICROCOCCAL NUCLEASE; MODELS, MOLECULAR; MUTATION; PROTEIN STRUCTURE, TERTIARY; SOLVENTS; STAPHYLOCOCCUS; TITRIMETRY;

EID: 50249150246     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp800168z     Document Type: Article

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