The influence of variations of ligand protonation and tautomerism on protein-ligand recognition and binding energy landscape

Journal of Chemical Information and Modeling

Volumn 46, Issue 3, 2006, Pages 1134-1142

  Todorov, Nikolay P ^a   Monthoux, Philippe H ^b   Alberts, Ian L ^a  

^a De Novo Pharmaceuticals Ltd   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTER SIMULATION; ENZYME KINETICS; PROTEINS; STRUCTURE (COMPOSITION);

DIHYDROFOLATE REDUCTASE; LIGAND PROTONATION; PROTEIN-LIGAND RECOGNITION; TAUTOMERIC FORMS;

PATTERN RECOGNITION;

LIGAND; PROTEIN; PROTON;

ARTICLE; CHEMICAL STRUCTURE; METABOLISM; STEREOISOMERISM; X RAY CRYSTALLOGRAPHY;

CRYSTALLOGRAPHY, X-RAY; LIGANDS; MODELS, MOLECULAR; PROTEINS; PROTONS; STEREOISOMERISM;

EID: 33745401244     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050071n     Document Type: Article

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