The thermodynamic influence of trapped water molecules on a protein-ligand interaction

Angewandte Chemie - International Edition

Volumn 48, Issue 28, 2009, Pages 5207-5210

  Stegmann, Christian M ^a   Seeliger, Daniel ^a   Sheldrick, George M ^c   De Groot, Bert L ^a   Wahl, Markus C ^a,b  

^a MAX PLANCK INSTITUTE FOR BIOPHYSICAL CHEMISTRY   (Germany)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

^c UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

Biophysics; Drug design; Isomerases; Molecular dynamics; Structural biology

Indexed keywords

ATOMIC-RESOLUTION; CYCLOPHILIN; CYCLOSPORIN A; DRUG DESIGN; ISOMERASES; MD SIMULATION; PROTEIN-LIGAND INTERACTIONS; STRUCTURAL BIOLOGY; THERMODYNAMIC PROFILES; WATER MOLECULE;

BIOLOGY; CRYSTAL ATOMIC STRUCTURE; ENZYMES; LIGANDS; MOLECULAR DYNAMICS; THERMODYNAMICS;

MOLECULES;

CYCLOPHILIN; CYCLOSPORIN; LIGAND; PPIG PROTEIN, HUMAN; WATER;

CHEMISTRY; HUMAN; HYDROGEN BOND; PROTEIN TERTIARY STRUCTURE; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; CYCLOPHILINS; CYCLOSPORINE; HUMANS; HYDROGEN BONDING; LIGANDS; PROTEIN STRUCTURE, TERTIARY; THERMODYNAMICS; WATER;

EID: 70349786173     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200900481     Document Type: Article

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