SCOPUS 정보 검색 플랫폼

Volumn 29, Issue 8-9, 2010, Pages 589-600

Free energy calculations of mutations involving a tightly bound water molecule and ligand substitutions in a ligand-protein complex

(2) García Sosa, Alfonso T a Mancera, Ricardo L b

a UNIVERSITY OF TARTU (Estonia)

b CURTIN UNIVERSITY (Australia)

Author keywords

Drug design; Free energy of binding; Hydration; Protein ligand complex; Thermodynamic integration; Water

Indexed keywords

AMINO ACIDS; BINDING ENERGY; COMPLEXATION; FREE ENERGY; LIGANDS; MOLECULES;

BOUND WATER MOLECULES; DRUG DESIGN; FREE ENERGY CHANGE; FREE ENERGY OF BINDING; FREE ENERGY OF INTERACTIONS; LIGAND SYSTEM; PROTEIN-LIGAND COMPLEXES; THERMODYNAMIC INTEGRATION; WATER LIGANDS;

PROTEINS;

AMIDE; AMINO ACID; HYDROXYL GROUP; LIGAND; METHYL GROUP; PHENYL GROUP; PROTEIN; PROTEIN SH3; WATER;

ARTICLE; BINDING AFFINITY; CHEMICAL STRUCTURE; ENERGY; MOLECULAR INTERACTION; MUTATIONAL ANALYSIS; PRIORITY JOURNAL; PROTEIN DOMAIN; SUBSTITUTION REACTION; THERMODYNAMICS;

EID: 78650214391 PISSN: 18681743 EISSN: 18681751 Source Type: Journal
DOI: 10.1002/minf.201000007 Document Type: Article

Times cited : (40)

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