1. A False‐Positive Screening Hit in Fragment‐Based Lead Discovery: Watch out for the Red Herring. Issue 7 (18th January 2017) Authors: Cramer, Jonathan; Schiebel, Johannes; Wulsdorf, Tobias; Grohe, Kristof; Najbauer, Eszter Eva; Ehrmann, Frederik R.; Radeva, Nedyalka; Zitzer, Nina; Linne, Uwe; Linser, Rasmus; Heine, Andreas; Klebe, Gerhard Journal: Angewandte Chemie international edition Issue: Volume 56:Issue 7(2017) Page Start: 1908 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Acceleration of Binding Site Comparisons by Graph Partitioning. Issue 8 (19th June 2015) Authors: Krotzky, Timo; Klebe, Gerhard Journal: Molecular informatics Issue: Volume 34:Issue 8(2015:Aug.) Page Start: 550 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. An Immucillin‐Based Transition‐State‐Analogous Inhibitor of tRNA–Guanine Transglycosylase (TGT). Issue 20 (31st March 2016) Authors: Hohn, Christoph; Härtsch, Adrian; Ehrmann, Frederik Rainer; Pfaffeneder, Toni; Trapp, Nils; Dumele, Oliver; Klebe, Gerhard; Diederich, François Journal: Chemistry Issue: Volume 22:Issue 20(2016) Page Start: 6750 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Austausch der Proteinkontaktflächen in der homodimeren tRNA‐Guanin‐Transglycosylase: ein Weg der funktionellen Regulation. (16th July 2018) Authors: Ehrmann, Frederik Rainer; Kalim, Jorna; Pfaffeneder, Toni; Bernet, Bruno; Hohn, Christoph; Schäfer, Elisabeth; Botzanowski, Thomas; Cianférani, Sarah; Heine, Andreas; Reuter, Klaus; Diederich, François; Klebe, Gerhard Journal: Angewandte Chemie Issue: Volume 130:Number 32(2018) Page Start: 10242 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High‐Resolution Crystal Structures. Issue 3 (13th January 2016) Authors: Rühmann, Eggert H.; Rupp, Melinda; Betz, Michael; Heine, Andreas; Klebe, Gerhard Journal: ChemMedChem Issue: Volume 11:Issue 3(2016) Page Start: 309 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Broad-scale analysis of thermodynamic signatures in medicinal chemistry: are enthalpy-favored binders the better development option?. Issue 4 (April 2019) Authors: Klebe, Gerhard Journal: Drug discovery today Issue: Volume 24:Issue 4(2019) Page Start: 943 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Chamäleon‐artige Bindungsmodi in der Leitstrukturoptimierung: wechselnde Bindungsgeometrien bei Aspartylprotease‐Inhibitoren1. (4th February 2015) Authors: Kuhnert, Maren; Köster, Helene; Bartholomäus, Ruben; Park, Ah Young; Shahim, Amir; Heine, Andreas; Steuber, Holger; Klebe, Gerhard; Diederich, Wibke E. Journal: Angewandte Chemie Issue: Volume 127:Number 9(2015) Page Start: 2891 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Changing the selectivity profile – from substrate analog inhibitors of thrombin and factor Xa to potent matriptase inhibitors. (1st November 2016) Authors: Maiwald, Alexander; Hammami, Maya; Wagner, Sebastian; Heine, Andreas; Klebe, Gerhard; Steinmetzer, Torsten Journal: Journal of enzyme inhibition and medicinal chemistry Issue: Volume 31(2016 Feb.)Supplement 1 Page Start: 89 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2‐Aminopyridine Become Protonated Upon Binding to Trypsin. Issue 17 (28th March 2017) Authors: Schiebel, Johannes; Gaspari, Roberto; Sandner, Anna; Ngo, Khang; Gerber, Hans‐Dieter; Cavalli, Andrea; Ostermann, Andreas; Heine, Andreas; Klebe, Gerhard Journal: Angewandte Chemie international edition Issue: Volume 56:Issue 17(2017) Page Start: 4887 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Corrigendum: Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Issue 5 (May 2014) Authors: Krimmer, Stefan G.; Betz, Michael; Heine, Andreas; Klebe, Gerhard Journal: ChemMedChem Issue: Volume 9:Issue 5(2014:May) Page Start: 877 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗