Structure and dynamics of the solvation of bovine pancreatic trypsin inhibitor in explicit water: A comparative study of the effects of solvent and protein polarizability

Journal of Physical Chemistry B

Volumn 109, Issue 34, 2005, Pages 16529-16538

  Kim, Byungchan ^a   Young, Tom ^a   Harder, Edward ^a   Friesner, Richard A ^a   Berne, B J ^a  

^a Columbia University ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BOVINE PANCREATIC TRYPSIN INHIBITORS (BPTI); PROTEIN POLARIZABILITY; SOLVATION; WATER MOLECULES;

CHEMICAL RELAXATION; COMPUTER SIMULATION; ELECTROSTATICS; HYDROGEN BONDS; HYDROPHILICITY; HYDROPHOBICITY; MOLECULAR DYNAMICS; ORGANIC SOLVENTS; PROTEINS; WATER;

ENZYME INHIBITION;

APROTININ; SOLVENT; WATER;

ANIMAL; ARTICLE; CATTLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; KINETICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN CONFORMATION; SOLUBILITY;

ANIMALS; CATTLE; COMPUTER SIMULATION; KINETICS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; PROTEIN CONFORMATION; SOLUBILITY; SOLVENTS; TRYPSIN INHIBITOR, KAZAL PANCREATIC; WATER;

EID: 24944460249     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp051569v     Document Type: Article

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