Publications by authors named "Tim Geppert"

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Unraveling the Activation Mechanism of Taspase1 which Controls the Oncogenic AF4-MLL Fusion Protein.
Samaneh Sabiani, Tim Geppert, Christian Engelbrecht, Eric Kowarz, Gisbert Schneider

EBioMedicine· May 2015

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Biological networks and drug discovery--where do we stand?
Tim Geppert, Herbert Koeppen

Drug Dev Res· August 2014

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Industrial applications of in silico ADMET.
Bernd Beck, Tim Geppert

J Mol Model· July 2014

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Inhibiting HtrA protease by addressing a computationally predicted allosteric ligand binding site.
Anna Maria Perna, Felix Reisen, Thomas P Schmidt, Tim Geppert, Max Pillong

Chem Sci· June 2014

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Fuzzy matched pairs: a means to determine the pharmacophore impact on molecular interaction.
Tim Geppert, Bernd Beck

J Chem Inf Model· April 2014

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Targeting dynamic pockets of HIV-1 protease by structure-based computational screening for allosteric inhibitors.
Jens Kunze, Nickolay Todoroff, Petra Schneider, Tiago Rodrigues, Tim Geppert

J Chem Inf Model· March 2014

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Identification of UV-protective activators of nuclear factor erythroid-derived 2-related factor 2 (Nrf2) by combining a chemical library screen with computer-based virtual screening.
Franziska Lieder, Felix Reisen, Tim Geppert, Gabriel Sollberger, Hans-Dietmar Beer

J Biol Chem· September 2012

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Discovery of small-molecule interleukin-2 inhibitors from a DNA-encoded chemical library.
Markus Leimbacher, Yixin Zhang, Luca Mannocci, Michael Stravs, Tim Geppert

Chemistry· June 2012

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Distinct roles of secreted HtrA proteases from gram-negative pathogens in cleaving the junctional protein and tumor suppressor E-cadherin.
Benjamin Hoy, Tim Geppert, Manja Boehm, Felix Reisen, Patrick Plattner

J Biol Chem· March 2012

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Virtual screening for compounds that mimic protein-protein interface epitopes.
Tim Geppert, Felix Reisen, Max Pillong, Volker Hähnke, Yusuf Tanrikulu

J Comput Chem· February 2012

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Immunosuppressive small molecule discovered by structure-based virtual screening for inhibitors of protein-protein interactions.
Tim Geppert, Stefanie Bauer, Jan A Hiss, Elea Conrad, Michael Reutlinger

Angew Chem Int Ed Engl· January 2012

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From Virtual Screening to Bioactive Compounds by Visualizing and Clustering of Chemical Space.
Alexander Klenner, Volker Hähnke, Tim Geppert, Petra Schneider, Heiko Zettl

Mol Inform· January 2012

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Spherical harmonics coefficients for ligand-based virtual screening of cyclooxygenase inhibitors.
Quan Wang, Kerstin Birod, Carlo Angioni, Sabine Grösch, Tim Geppert

PLoS One· December 2011

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Structural properties of so-called NSAID-phospholipid-complexes.
Jan Hüsch, Bercem Dutagaci, Clemens Glaubitz, Tim Geppert, Gisbert Schneider

Eur J Pharm Sci· September 2011

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Context-based identification of protein-protein interfaces and "hot-spot" residues.
Tim Geppert, Benjamin Hoy, Silja Wessler, Gisbert Schneider

Chem Biol· March 2011

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Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.
Gisbert Schneider, Tim Geppert, Markus Hartenfeller, Felix Reisen, Alexander Klenner

Future Med Chem· March 2011

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Inhibitors of Helicobacter pylori protease HtrA found by 'virtual ligand' screening combat bacterial invasion of epithelia.
Martin Löwer, Tim Geppert, Petra Schneider, Benjamin Hoy, Silja Wessler

PLoS One· March 2011

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Helicobacter pylori HtrA is a new secreted virulence factor that cleaves E-cadherin to disrupt intercellular adhesion.
Benjamin Hoy, Martin Löwer, Christiane Weydig, Gert Carra, Nicole Tegtmeyer, Tim Geppert

EMBO Rep· October 2010

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Protein-protein docking by shape-complementarity and property matching.
Tim Geppert, Ewgenij Proschak, Gisbert Schneider

J Comput Chem· July 2010

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Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor.
Yusuf Tanrikulu, Ewgenij Proschak, Tim Werner, Tim Geppert, Nickolay Todoroff

ChemMedChem· May 2009

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