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Volumn 7, Issue 8, 2012, Pages 1423-1434

Water Makes the Difference: Rearrangement of Water Solvation Layer Triggers Non-additivity of Functional Group Contributions in Protein-Ligand Binding

(4) Biela, Adam a Betz, Michael a Heine, Andreas a Klebe, Gerhard a

a PHILIPPS UNIVERSITY MARBURG (Germany)

Author keywords

Crystal structures; Isothermal titration calorimetry; Protein ligand interactions; Water solvation

Indexed keywords

CARBOXYL GROUP; METHYL GROUP; WATER;

ACIDITY; ARTICLE; BINDING AFFINITY; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; CRYSTAL STRUCTURE; ENTHALPY; ENTROPY; ISOTHERMAL TITRATION CALORIMETRY; LIGAND BINDING; MOLECULAR INTERACTION; MOLECULE; PRIORITY JOURNAL; PROTON TRANSPORT; SOLVATION; THERMODYNAMICS;

BINDING SITES; CALORIMETRY; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; LIGANDS; PROTEASE INHIBITORS; PROTEIN STRUCTURE, TERTIARY; SOLVENTS; THERMODYNAMICS; THERMOLYSIN; WATER;

EID: 84864400966 PISSN: 18607179 EISSN: 18607187 Source Type: Journal
DOI: 10.1002/cmdc.201200206 Document Type: Article

Times cited : (64)

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