CONFECT: Conformations from an expert collection of torsion patterns

ChemMedChem

Volumn 8, Issue 10, 2013, Pages 1690-1700

  Schärfer, Christin ^a   Schulz Gasch, Tanja ^b   Hert, Jérôme ^b   Heinzerling, Lennart ^a   Schulz, Benjamin ^c   Inhester, Therese ^a   Stahl, Martin ^b   Rarey, Matthias ^a  

^a UNIVERSITY OF HAMBURG   (Germany)

^b F HOFFMANN LA ROCHE LTD   (Switzerland)

^c BioSolveIT GmbH   (Germany)

Author keywords

Bioactive conformations; Computational chemistry; Conformation generation; CSD; Torsion libraries

Indexed keywords

ALGORITHM; ARTICLE; CALCULATION; CONFORMATION; CRYSTAL STRUCTURE; ENERGY TRANSFER; MOLECULAR RECOGNITION; PRIORITY JOURNAL; QUALITY CONTROL; SAMPLING; CLUSTER ANALYSIS; COMPUTER PROGRAM; DRUG DESIGN; FACTUAL DATABASE;

ALGORITHMS; CLUSTER ANALYSIS; DATABASES, FACTUAL; DRUG DESIGN; MOLECULAR CONFORMATION; SOFTWARE;

EID: 84884985535     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.201300242     Document Type: Article

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