Quantum mechanical map for protein-ligand binding with application to β-trypsin/benzamidine complex

Journal of Chemical Physics

Volumn 120, Issue 3, 2004, Pages 1145-1148

  Zhang, Da W ^a   Xiang, Yun ^a   Gao, Ai M ^a   Zhang, John Z H ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BINDING ENERGY; ENZYMES; FRACTIONATION; PROTEINS;

BENZAMIDINE; HARTREE-FOCK CALCULATION; MOLECULAR FRACTIONATION; PROTEIN LIGAND BINDING; TRYPSIN;

QUANTUM THEORY;

ASPARTIC ACID; BENZAMIDINE DERIVATIVE; LIGAND; PROTEIN; TRYPSIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; METHODOLOGY; PHYSICAL CHEMISTRY; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN TERTIARY STRUCTURE; QUANTUM THEORY; STATISTICAL MODEL;

ASPARTIC ACID; BENZAMIDINES; CHEMISTRY; CHEMISTRY, PHYSICAL; LIGANDS; METHODS; MODELS, MOLECULAR; MODELS, STATISTICAL; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE, TERTIARY; PROTEINS; QUANTUM THEORY; TRYPSIN;

EID: 1142279661     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1639152     Document Type: Article

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