Conformational energy penalties of protein-bound ligands

Journal of Computer-Aided Molecular Design

Volumn 12, Issue 4, 1998, Pages 383-

  Boström, Jonas ^a   Norrby, Per Ola ^a   Liljefors, Tommy ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

AMBER*; Bioactive conformation; Conformational analysis; GB SA hydration model; Ligand protein interactions; MM3*

Indexed keywords

CONFORMATIONS; PROTEINS; SOLVATION; X RAY CRYSTALLOGRAPHY;

AMBER*; BIOACTIVE CONFORMATION; CONFORMATIONAL ANALYSIS; GENERALIZED BORN; GENERALIZED BORN/SOLVENT ACCESSIBLE SURFACE HYDRATION MODEL; HYDRATION MODELS; LIGAND-PROTEIN INTERACTION; MM3*; SOLVENT-ACCESSIBLE SURFACES; SURFACE HYDRATION;

LIGANDS;

LIGAND; PROTEIN; WATER;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; METABOLISM; PROTEIN BINDING; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; PROTEINS; THERMODYNAMICS; WATER;

EID: 0032112610     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/a:1008007507641     Document Type: Article

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