Items where Author is "Klebe, Gerhard"

2017

Cramer, Jonathan and Schiebel, Johannes and Wulsdorf, Tobias and Grohe, Kristof and Najbauer, Eszter Eva and Ehrmann, Frederik R. and Radeva, Nedyalka and Zitzer, Nina and Linne, Uwe and Linser, Rasmus and Heine, Andreas and Klebe, Gerhard. (2017) A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. Angewandte Chemie (International Edition), 56 (7). pp. 1908-1913.

Cramer, Jonathan and Klebe, Gerhard. (2017) An Allyl Protection and Improved Purification Strategy Enables the Synthesis of Functionalized Phosphonamidate Peptides. Synthesis, 49 (8). pp. 1857-1866.

Cramer, Jonathan and Krimmer, Stefan G. and Fridh, Veronica and Wulsdorf, Tobias and Karlsson, Robert and Heine, Andreas and Klebe, Gerhard. (2017) Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin. ACS Chemical Biology, 12 (1). pp. 225-233.

Krimmer, Stefan G. and Cramer, Jonathan and Schiebel, Johannes and Heine, Andreas and Klebe, Gerhard. (2017) How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1′ Pocket of Thermolysin. Journal of the American Chemical Society, 139 (30). pp. 10419-10431.

Cramer, Jonathan and Krimmer, Stefan G. and Heine, Andreas and Klebe, Gerhard. (2017) Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. Journal of Medicinal Chemistry, 60 (13). pp. 5791-5799.

2016

Krimmer, Stefan G. and Cramer, Jonathan and Betz, Michael and Fridh, Veronica and Karlsson, Robert and Heine, Andreas and Klebe, Gerhard. (2016) Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands. Journal of medicinal chemistry, 59 (23). pp. 10530-10548.