Structure-based fragment hopping for lead optimization using predocked fragment database

Journal of Chemical Information and Modeling

Volumn 51, Issue 7, 2011, Pages 1703-1715

  Lin, Fang Yu ^a   Tseng, Yufeng J ^a  

^a NATIONAL TAIWAN UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BINDING SITES; DATABASE SYSTEMS; LIGANDS;

BINDING AFFINITIES; BIOMOLECULAR SYSTEM; GROUP EFFICIENCY; LEAD OPTIMIZATION; MOLECULAR COMPONENTS; MOLECULAR FRAGMENTS; RECEPTOR BINDING; STRUCTURE-BASED;

QUERY PROCESSING;

ENZYME INHIBITOR; LIPOXYGENASE INHIBITOR; PEPTIDE FRAGMENT;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; HUMAN; HYDROGEN BOND; IC 50; MOLECULAR LIBRARY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

BINDING SITES; ENZYME INHIBITORS; HUMANS; HYDROGEN BONDING; INHIBITORY CONCENTRATION 50; LIPOXYGENASE INHIBITORS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PEPTIDE FRAGMENTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES; THERMODYNAMICS;

EID: 79960712148     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200136j     Document Type: Article

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