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Second-generation de novo design: a view from a medicinal chemist perspective.
Zaliani A, Boda K, Seidel T, Herwig A, Schwab CH, Gasteiger J, Claussen H, Lemmen C, Degen J, Pärn J, Rarey M. Zaliani A, et al. Among authors: rarey m. J Comput Aided Mol Des. 2009 Aug;23(8):593-602. doi: 10.1007/s10822-009-9291-2. Epub 2009 Jun 27. J Comput Aided Mol Des. 2009. PMID: 19562260
Searching for substructures in fragment spaces.
Ehrlich HC, Volkamer A, Rarey M. Ehrlich HC, et al. Among authors: rarey m. J Chem Inf Model. 2012 Dec 21;52(12):3181-9. doi: 10.1021/ci300283a. Epub 2012 Dec 12. J Chem Inf Model. 2012. PMID: 23205736
Interactive design of generic chemical patterns.
Schomburg KT, Wetzer L, Rarey M. Schomburg KT, et al. Among authors: rarey m. Drug Discov Today. 2013 Jul;18(13-14):651-8. doi: 10.1016/j.drudis.2013.02.001. Epub 2013 Feb 9. Drug Discov Today. 2013. PMID: 23402846 Review.
CONFECT: conformations from an expert collection of torsion patterns.
Schärfer C, Schulz-Gasch T, Hert J, Heinzerling L, Schulz B, Inhester T, Stahl M, Rarey M. Schärfer C, et al. Among authors: rarey m. ChemMedChem. 2013 Oct;8(10):1690-700. doi: 10.1002/cmdc.201300242. Epub 2013 Aug 8. ChemMedChem. 2013. PMID: 23929679
161 results