Geppert T - Search Results

1

Spherical harmonics coefficients for ligand-based virtual screening of cyclooxygenase inhibitors.

Wang Q, Birod K, Angioni C, Grösch S, Geppert T, Schneider P, Rupp M, Schneider G. Wang Q, et al. Among authors: geppert t. PLoS One. 2011;6(7):e21554. doi: 10.1371/journal.pone.0021554. Epub 2011 Jul 27. PLoS One. 2011. PMID: 21818259 Free PMC article.

2

Inhibitors of Helicobacter pylori protease HtrA found by 'virtual ligand' screening combat bacterial invasion of epithelia.

Löwer M, Geppert T, Schneider P, Hoy B, Wessler S, Schneider G. Löwer M, et al. Among authors: geppert t. PLoS One. 2011 Mar 31;6(3):e17986. doi: 10.1371/journal.pone.0017986. PLoS One. 2011. PMID: 21483848 Free PMC article.

3

Protein-protein docking by shape-complementarity and property matching.

Geppert T, Proschak E, Schneider G. Geppert T, et al. J Comput Chem. 2010 Jul 15;31(9):1919-28. doi: 10.1002/jcc.21479. J Comput Chem. 2010. PMID: 20087900

4

Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor.

Tanrikulu Y, Proschak E, Werner T, Geppert T, Todoroff N, Klenner A, Kottke T, Sander K, Schneider E, Seifert R, Stark H, Clark T, Schneider G. Tanrikulu Y, et al. Among authors: geppert t. ChemMedChem. 2009 May;4(5):820-7. doi: 10.1002/cmdc.200800443. ChemMedChem. 2009. PMID: 19343764

5

Targeting dynamic pockets of HIV-1 protease by structure-based computational screening for allosteric inhibitors.

Kunze J, Todoroff N, Schneider P, Rodrigues T, Geppert T, Reisen F, Schreuder H, Saas J, Hessler G, Baringhaus KH, Schneider G. Kunze J, et al. Among authors: geppert t. J Chem Inf Model. 2014 Mar 24;54(3):987-91. doi: 10.1021/ci400712h. Epub 2014 Feb 14. J Chem Inf Model. 2014. PMID: 24528206

6

Virtual screening for compounds that mimic protein-protein interface epitopes.

Geppert T, Reisen F, Pillong M, Hähnke V, Tanrikulu Y, Koch CP, Perna AM, Perez TB, Schneider P, Schneider G. Geppert T, et al. J Comput Chem. 2012 Feb 15;33(5):573-9. doi: 10.1002/jcc.22894. Epub 2011 Dec 8. J Comput Chem. 2012. PMID: 22162049

7

Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.

Schneider G, Geppert T, Hartenfeller M, Reisen F, Klenner A, Reutlinger M, Hähnke V, Hiss JA, Zettl H, Keppner S, Spänkuch B, Schneider P. Schneider G, et al. Among authors: geppert t. Future Med Chem. 2011 Mar;3(4):415-24. doi: 10.4155/fmc.11.8. Future Med Chem. 2011. PMID: 21452978

8

Unraveling the Activation Mechanism of Taspase1 which Controls the Oncogenic AF4-MLL Fusion Protein.

Sabiani S, Geppert T, Engelbrecht C, Kowarz E, Schneider G, Marschalek R. Sabiani S, et al. Among authors: geppert t. EBioMedicine. 2015 Apr 16;2(5):386-95. doi: 10.1016/j.ebiom.2015.04.009. eCollection 2015 May. EBioMedicine. 2015. PMID: 26137584 Free PMC article.

9

Inhibiting Helicobacter pylori HtrA protease by addressing a computationally predicted allosteric ligand binding site.

Perna AM, Reisen F, Schmidt TP, Geppert T, Pillong M, Weisel M, Hoy B, Simister PC, Feller SM, Wessler S, Schneider G. Perna AM, et al. Among authors: geppert t. Chem Sci. 2014 Jun 30;5:3583-3590. doi: 10.1039/C4SC01443J. Chem Sci. 2014. PMID: 26819700 Free PMC article.

10

Immunosuppressive small molecule discovered by structure-based virtual screening for inhibitors of protein-protein interactions.

Geppert T, Bauer S, Hiss JA, Conrad E, Reutlinger M, Schneider P, Weisel M, Pfeiffer B, Altmann KH, Waibler Z, Schneider G. Geppert T, et al. Angew Chem Int Ed Engl. 2012 Jan 2;51(1):258-61. doi: 10.1002/anie.201105901. Epub 2011 Nov 16. Angew Chem Int Ed Engl. 2012. PMID: 22095772 No abstract available.

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