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Journal of Computer-Aided Molecular Design

Volumn 25, Issue 10, 2011, Pages 931-945

De novo design by pharmacophore-based searches in fragment spaces

(5) Lippert, Tobias a Schulz Gasch, Tanja b Roche, Olivier b Guba, Wolfgang b Rarey, Matthias a

a UNIVERSITY OF HAMBURG (Germany)

b F HOFFMANN LA ROCHE LTD (Switzerland)

Author keywords

De novo design; Fragment based design; Pharmacophores

Indexed keywords

LIGANDS; PHARMACODYNAMICS; SOFTWARE TESTING;

ACTIVE SITE STRUCTURE; DE NOVO DESIGN; DE NOVO LIGAND DESIGNS; DESIGN SUPPORT; FRAGMENT-BASED DESIGN; MEDICINAL CHEMISTRY; MOLECULAR SCAFFOLDS; PHARMACOPHORES; STRUCTURAL INFORMATION; STRUCTURE-BASED;

SCAFFOLDS;

BCR ABL PROTEIN; CYCLOOXYGENASE 2 INHIBITOR; IMATINIB; MOLECULAR SCAFFOLD; NILOTINIB; PONATINIB; PROTEIN TYROSINE KINASE INHIBITOR; SORAFENIB;

ALGORITHM; ARTICLE; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG DETERMINATION; DRUG STRUCTURE; INFORMATION PROCESSING; MOLECULAR DYNAMICS; PHARMACOPHORE; PRIORITY JOURNAL; STATISTICAL ANALYSIS;

EID: 84855191711 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-011-9473-6 Document Type: Article

Times cited : (20)

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