Rarey M - Search Results

1

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

2

Molecular complexes at a glance: automated generation of two-dimensional complex diagrams.

Stierand K, Maass PC, Rarey M. Stierand K, et al. Among authors: rarey m. Bioinformatics. 2006 Jul 15;22(14):1710-6. doi: 10.1093/bioinformatics/btl150. Epub 2006 Apr 21. Bioinformatics. 2006. PMID: 16632493

3

FlexNovo: structure-based searching in large fragment spaces.

Degen J, Rarey M. Degen J, et al. Among authors: rarey m. ChemMedChem. 2006 Aug;1(8):854-68. doi: 10.1002/cmdc.200500102. ChemMedChem. 2006. PMID: 16902939

4

TrixX: structure-based molecule indexing for large-scale virtual screening in sublinear time.

Schellhammer I, Rarey M. Schellhammer I, et al. Among authors: rarey m. J Comput Aided Mol Des. 2007 May;21(5):223-38. doi: 10.1007/s10822-007-9103-5. Epub 2007 Feb 9. J Comput Aided Mol Des. 2007. PMID: 17294247

5

From modeling to medicinal chemistry: automatic generation of two-dimensional complex diagrams.

Stierand K, Rarey M. Stierand K, et al. Among authors: rarey m. ChemMedChem. 2007 Jun;2(6):853-60. doi: 10.1002/cmdc.200700010. ChemMedChem. 2007. PMID: 17436259

6

Exploring fragment spaces under multiple physicochemical constraints.

Pärn J, Degen J, Rarey M. Pärn J, et al. Among authors: rarey m. J Comput Aided Mol Des. 2007 Jun;21(6):327-40. doi: 10.1007/s10822-007-9121-3. Epub 2007 Jun 28. J Comput Aided Mol Des. 2007. PMID: 17598075

7

On the art of compiling and using 'drug-like' chemical fragment spaces.

Degen J, Wegscheid-Gerlach C, Zaliani A, Rarey M. Degen J, et al. Among authors: rarey m. ChemMedChem. 2008 Oct;3(10):1503-7. doi: 10.1002/cmdc.200800178. ChemMedChem. 2008. PMID: 18792903 No abstract available.

8

LoFT: similarity-driven multiobjective focused library design.

Fischer JR, Lessel U, Rarey M. Fischer JR, et al. Among authors: rarey m. J Chem Inf Model. 2010 Jan;50(1):1-21. doi: 10.1021/ci900287p. J Chem Inf Model. 2010. PMID: 20020715

9

Improving similarity-driven library design: customized matching and regioselective feature trees.

Fischer JR, Lessel U, Rarey M. Fischer JR, et al. Among authors: rarey m. J Chem Inf Model. 2011 Sep 26;51(9):2156-63. doi: 10.1021/ci200014g. Epub 2011 Aug 18. J Chem Inf Model. 2011. PMID: 21848342

10

De novo design by pharmacophore-based searches in fragment spaces.

Lippert T, Schulz-Gasch T, Roche O, Guba W, Rarey M. Lippert T, et al. Among authors: rarey m. J Comput Aided Mol Des. 2011 Oct;25(10):931-45. doi: 10.1007/s10822-011-9473-6. Epub 2011 Sep 16. J Comput Aided Mol Des. 2011. PMID: 21922280

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