Evidence of water molecules - A statistical evaluation of water molecules based on electron density

Journal of Chemical Information and Modeling

Volumn 55, Issue 4, 2015, Pages 771-783

  Nittinger, Eva ^a   Schneider, Nadine ^a   Lange, Gudrun ^b   Rarey, Matthias ^a  

^a UNIVERSITY OF HAMBURG   (Germany)

^b BAYER CROPSCIENCE AG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRON DENSITY MEASUREMENT; ELECTRONS; HYDROGEN BONDS; HYDROPHOBICITY; PROTEINS;

ACCURATE PREDICTION; AUTOMATIC QUANTIFICATION; GEOMETRIC CHARACTERISTICS; MODELING AND VALIDATION; ON-ELECTRON DENSITY; PROTEIN-LIGAND INTERACTIONS; STATISTICAL EVALUATION; TETRAHEDRAL ARRANGEMENT;

MOLECULES;

PROTEIN; WATER;

CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; HYDROGEN BOND; METABOLISM; PROTEIN CONFORMATION; PROTEIN DATABASE;

DATABASES, PROTEIN; ELECTRONS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEINS; WATER;

EID: 84928689662     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500662d     Document Type: Article

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