Analyzing multitarget activity landscapes using protein-ligand interaction fingerprints: Interaction cliffs

Journal of Chemical Information and Modeling

Volumn 55, Issue 2, 2015, Pages 251-262

  Méndez Lucio, Oscar ^a   Kooistra, Albert J ^b   Graaf, Chris De ^b   Bender, Andreas ^a   Medina Franco, José L ^c  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

^c Universidad Nacional Autonoma de Mexico Facultad de Quimica   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

LANDFORMS; PROTEINS;

KINASE COMPLEX; LANDSCAPE FEATURE; LANDSCAPE MODEL; PROTEIN-LIGAND INTERACTIONS; SPECIFIC INTERACTION; STRUCTURE ACTIVITY; STRUCTURE-BASED; TARGET POINT;

LIGANDS;

LIGAND; PHOSPHOTRANSFERASE; PROTEIN KINASE INHIBITOR;

ALGORITHM; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DEVELOPMENT; HYDROGEN BOND; PEPTIDE MAPPING; PROCEDURES; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; DRUG DISCOVERY; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; PEPTIDE MAPPING; PHOSPHOTRANSFERASES; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84923342620     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500721x     Document Type: Article

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