Rarey M - Search Results

1

Predicting enzymatic function from global binding site descriptors.

Volkamer A, Kuhn D, Rippmann F, Rarey M. Volkamer A, et al. Among authors: rarey m. Proteins. 2013 Mar;81(3):479-89. doi: 10.1002/prot.24205. Epub 2012 Dec 24. Proteins. 2013. PMID: 23150100

2

FlexX-Scan: fast, structure-based virtual screening.

Schellhammer I, Rarey M. Schellhammer I, et al. Among authors: rarey m. Proteins. 2004 Nov 15;57(3):504-17. doi: 10.1002/prot.20217. Proteins. 2004. PMID: 15382244

3

Analyzing the topology of active sites: on the prediction of pockets and subpockets.

Volkamer A, Griewel A, Grombacher T, Rarey M. Volkamer A, et al. Among authors: rarey m. J Chem Inf Model. 2010 Nov 22;50(11):2041-52. doi: 10.1021/ci100241y. Epub 2010 Oct 14. J Chem Inf Model. 2010. PMID: 20945875

4

Combining global and local measures for structure-based druggability predictions.

Volkamer A, Kuhn D, Grombacher T, Rippmann F, Rarey M. Volkamer A, et al. Among authors: rarey m. J Chem Inf Model. 2012 Feb 27;52(2):360-72. doi: 10.1021/ci200454v. Epub 2012 Jan 5. J Chem Inf Model. 2012. PMID: 22148551

5

DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment.

Volkamer A, Kuhn D, Rippmann F, Rarey M. Volkamer A, et al. Among authors: rarey m. Bioinformatics. 2012 Aug 1;28(15):2074-5. doi: 10.1093/bioinformatics/bts310. Epub 2012 May 23. Bioinformatics. 2012. PMID: 22628523

6

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

7

Fast protein binding site comparison via an index-based screening technology.

von Behren MM, Volkamer A, Henzler AM, Schomburg KT, Urbaczek S, Rarey M. von Behren MM, et al. Among authors: rarey m. J Chem Inf Model. 2013 Feb 25;53(2):411-22. doi: 10.1021/ci300469h. Epub 2013 Feb 7. J Chem Inf Model. 2013. PMID: 23390978

8

Protein pocket and ligand shape comparison and its application in virtual screening.

Wirth M, Volkamer A, Zoete V, Rippmann F, Michielin O, Rarey M, Sauer WH. Wirth M, et al. Among authors: rarey m. J Comput Aided Mol Des. 2013 Jun;27(6):511-24. doi: 10.1007/s10822-013-9659-1. Epub 2013 Jun 27. J Comput Aided Mol Des. 2013. PMID: 23807262

9

Exploiting structural information for drug-target assessment.

Volkamer A, Rarey M. Volkamer A, et al. Among authors: rarey m. Future Med Chem. 2014 Mar;6(3):319-31. doi: 10.4155/fmc.14.3. Future Med Chem. 2014. PMID: 24575967 Review.

10

ASCONA: Rapid Detection and Alignment of Protein Binding Site Conformations.

Bietz S, Rarey M. Bietz S, et al. Among authors: rarey m. J Chem Inf Model. 2015 Aug 24;55(8):1747-56. doi: 10.1021/acs.jcim.5b00210. Epub 2015 Jul 22. J Chem Inf Model. 2015. PMID: 26098831

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