Volkamer A - Search Results

1

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. Bioinformatics. 2012 Aug 1;28(15):2074-5. doi: 10.1093/bioinformatics/bts310. Epub 2012 May 23. Bioinformatics. 2012. PMID: 22628523

2

Small molecule inhibiting microglial nitric oxide release could become a potential treatment for neuroinflammation.

Jordan P, Costa A, Specker E, Popp O, Volkamer A, Piske R, Obrusnik T, Kleissle S, Stuke K, Rex A, Neuenschwander M, von Kries JP, Nazare M, Mertins P, Kettenmann H, Wolf SA. Jordan P, et al. Among authors: volkamer a. PLoS One. 2023 Feb 6;18(2):e0278325. doi: 10.1371/journal.pone.0278325. eCollection 2023. PLoS One. 2023. PMID: 36745631 Free PMC article.

3

MEN1 mutations mediate clinical resistance to menin inhibition.

Perner F, Stein EM, Wenge DV, Singh S, Kim J, Apazidis A, Rahnamoun H, Anand D, Marinaccio C, Hatton C, Wen Y, Stone RM, Schaller D, Mowla S, Xiao W, Gamlen HA, Stonestrom AJ, Persaud S, Ener E, Cutler JA, Doench JG, McGeehan GM, Volkamer A, Chodera JD, Nowak RP, Fischer ES, Levine RL, Armstrong SA, Cai SF. Perner F, et al. Among authors: volkamer a. Nature. 2023 Mar;615(7954):913-919. doi: 10.1038/s41586-023-05755-9. Epub 2023 Mar 15. Nature. 2023. PMID: 36922589 Free PMC article. Clinical Trial.

4

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. 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

5

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

Volkamer A, Kuhn D, Grombacher T, Rippmann F, Rarey M. Volkamer A, et al. 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

6

Predicting enzymatic function from global binding site descriptors.

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

7

Searching for substructures in fragment spaces.

Ehrlich HC, Volkamer A, Rarey M. Ehrlich HC, et al. Among authors: volkamer a. 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

8

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: volkamer a. 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

9

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: volkamer a. 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

10

Exploiting structural information for drug-target assessment.

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

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