A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes
Köster, Helene, Craan, Tobias, Brass, Sascha, Herhaus, Christian, Zentgraf, Matthias, Neumann, Lars, Heine, Andreas, Klebe, Gerhard
Published in Journal of medicinal chemistry (24.11.2011)
Published in Journal of medicinal chemistry (24.11.2011)
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Structure-Based Design of Inhibitors of the Aspartic Protease Endothiapepsin by Exploiting Dynamic Combinatorial Chemistry
Mondal, Milon, Radeva, Nedyalka, Köster, Helene, Park, Ahyoung, Potamitis, Constantinos, Zervou, Maria, Klebe, Gerhard, Hirsch, Anna K. H.
Published in Angewandte Chemie International Edition (17.03.2014)
Published in Angewandte Chemie International Edition (17.03.2014)
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Tracing Binding Modes in Hit-to-Lead Optimization: Chameleon-Like Poses of Aspartic Protease Inhibitors
Kuhnert, Maren, Köster, Helene, Bartholomäus, Ruben, Park, Ah Young, Shahim, Amir, Heine, Andreas, Steuber, Holger, Klebe, Gerhard, Diederich, Wibke E.
Published in Angewandte Chemie International Edition (23.02.2015)
Published in Angewandte Chemie International Edition (23.02.2015)
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One Question, Multiple Answers: Biochemical and Biophysical Screening Methods Retrieve Deviating Fragment Hit Lists
Schiebel, Johannes, Radeva, Nedyalka, Köster, Helene, Metz, Alexander, Krotzky, Timo, Kuhnert, Maren, Diederich, Wibke E., Heine, Andreas, Neumann, Lars, Atmanene, Cedric, Roecklin, Dominique, Vivat-Hannah, Valérie, Renaud, Jean-Paul, Meinecke, Robert, Schlinck, Nina, Sitte, Astrid, Popp, Franziska, Zeeb, Markus, Klebe, Gerhard
Published in ChemMedChem (01.09.2015)
Published in ChemMedChem (01.09.2015)
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Experimental and Computational Active Site Mapping as a Starting Point to Fragment-Based Lead Discovery
Behnen, Jürgen, Köster, Helene, Neudert, Gerd, Craan, Tobias, Heine, Andreas, Klebe, Gerhard
Published in ChemMedChem (06.02.2012)
Published in ChemMedChem (06.02.2012)
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Crystallographic fragment screening: challenges, opportunities, lessons learned
Heine, Andreas, Radeva, Nedyalka, Schiebel, Johannes, Park, Ahyoung, Köster, Helene, Ühlein, Monika, Sparta, Karine, Weiss, Manfred, Mueller, Uwe, Klebe, Gerhard
Published in Acta crystallographica. Section A, Foundations and advances (05.08.2014)
Published in Acta crystallographica. Section A, Foundations and advances (05.08.2014)
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Chamäleon-artige Bindungsmodi in der Leitstrukturoptimierung: wechselnde Bindungsgeometrien bei Aspartylprotease-Inhibitoren
Kuhnert, Maren, Köster, Helene, Bartholomäus, Ruben, Park, Ah Young, Shahim, Amir, Heine, Andreas, Steuber, Holger, Klebe, Gerhard, Diederich, Wibke E.
Published in Angewandte Chemie (23.02.2015)
Published in Angewandte Chemie (23.02.2015)
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Chamäleon‐artige Bindungsmodi in der Leitstrukturoptimierung: wechselnde Bindungsgeometrien bei Aspartylprotease‐Inhibitoren
Kuhnert, Maren, Köster, Helene, Bartholomäus, Ruben, Park, Ah Young, Shahim, Amir, Heine, Andreas, Steuber, Holger, Klebe, Gerhard, Diederich, Wibke E.
Published in Angewandte Chemie (23.02.2015)
Published in Angewandte Chemie (23.02.2015)
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Strukturbasiertes Design von Hemmstoffen der Aspartylprotease Endothiapepsin mittels dynamischer kombinatorischer Chemie
Mondal, Milon, Radeva, Nedyalka, Köster, Helene, Park, Ahyoung, Potamitis, Constantinos, Zervou, Maria, Klebe, Gerhard, Hirsch, Anna K. H.
Published in Angewandte Chemie (17.03.2014)
Published in Angewandte Chemie (17.03.2014)
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Journal Article
Strukturbasiertes Design von Hemmstoffen der Aspartylprotease Endothiapepsin mittels dynamischer kombinatorischer Chemie
Mondal, Milon, Radeva, Nedyalka, Köster, Helene, Park, Ahyoung, Potamitis, Constantinos, Zervou, Maria, Klebe, Gerhard, Hirsch, Anna K. H.
Published in Angewandte Chemie (17.03.2014)
Published in Angewandte Chemie (17.03.2014)
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