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Gerhard Klebe

Showing results (81-90 of 262) with videos related to

Pageof 27
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Journal of Molecular Biology|October 2, 2007
Tracing changes in protonation: a prerequisite to factorize thermodynamic data of inhibitor binding to aldose reductaseHolger Steuber, Paul Czodrowski, Christoph A Sotriffer, et al.
Chemmedchem|March 14, 2014
Methyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitorsStefan G Krimmer, Michael Betz, Andreas Heine, et al.
Journal of Chemical Information and Modeling|December 23, 2015
Impact of Surface Water Layers on Protein--Ligand Binding: How Well Are Experimental Data Reproduced by Molecular Dynamics Simulations in a Thermolysin Test Case?Michael Betz, Tobias Wulsdorf, Stefan G Krimmer, et al.
Nucleic Acids Research|December 31, 2005
AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDBPeter Block, Christoph A Sotriffer, Ingo Dramburg, et al.
Proteins|August 24, 2006
Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexesPaul Czodrowski, Ingo Dramburg, Christoph A Sotriffer, et al.
Chembiochem : a European Journal of Chemical Biology|February 10, 2009
Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGTTina Ritschel, Simone Hoertner, Andreas Heine, et al.
Angewandte Chemie (International Ed. in English)|May 10, 2005
Metal ions as cofactors for the binding of inhibitors to methionine aminopeptidase: a critical view of the relevance of in vitro metalloenzyme assaysRolf Schiffmann, Andreas Heine, Gerhard Klebe, et al.
Biomolecules|April 2, 2020
The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase IISteffen Glöckner, Khang Ngo, Björn Wagner, et al.
Angewandte Chemie (International Ed. in English)|October 6, 2020
Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK<sub>a</sub> Shifts Mislead Popular Bioisosterism ConceptsMatthias Oebbeke, Christof Siefker, Björn Wagner, et al.
Pharmaceutical Research|September 21, 2002
Loading of tetanus toxoid to biodegradable nanoparticles from branched poly(sulfobutyl-polyvinyl alcohol)-g-(lactide-co-glycolide) nanoparticles by protein adsorption: a mechanistic studyTobias Jung, Walter Kamm, Armin Breitenbach, et al.
Pageof 27

Showing results (81-90 of 262) with videos related to

Sort By:
Pageof 27
Journal of Molecular Biology|October 2, 2007
Tracing changes in protonation: a prerequisite to factorize thermodynamic data of inhibitor binding to aldose reductaseHolger Steuber, Paul Czodrowski, Christoph A Sotriffer, et al.
Chemmedchem|March 14, 2014
Methyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitorsStefan G Krimmer, Michael Betz, Andreas Heine, et al.
Journal of Chemical Information and Modeling|December 23, 2015
Impact of Surface Water Layers on Protein--Ligand Binding: How Well Are Experimental Data Reproduced by Molecular Dynamics Simulations in a Thermolysin Test Case?Michael Betz, Tobias Wulsdorf, Stefan G Krimmer, et al.
Nucleic Acids Research|December 31, 2005
AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDBPeter Block, Christoph A Sotriffer, Ingo Dramburg, et al.
Proteins|August 24, 2006
Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexesPaul Czodrowski, Ingo Dramburg, Christoph A Sotriffer, et al.
Chembiochem : a European Journal of Chemical Biology|February 10, 2009
Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGTTina Ritschel, Simone Hoertner, Andreas Heine, et al.
Angewandte Chemie (International Ed. in English)|May 10, 2005
Metal ions as cofactors for the binding of inhibitors to methionine aminopeptidase: a critical view of the relevance of in vitro metalloenzyme assaysRolf Schiffmann, Andreas Heine, Gerhard Klebe, et al.
Biomolecules|April 2, 2020
The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase IISteffen Glöckner, Khang Ngo, Björn Wagner, et al.
Angewandte Chemie (International Ed. in English)|October 6, 2020
Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK<sub>a</sub> Shifts Mislead Popular Bioisosterism ConceptsMatthias Oebbeke, Christof Siefker, Björn Wagner, et al.
Pharmaceutical Research|September 21, 2002
Loading of tetanus toxoid to biodegradable nanoparticles from branched poly(sulfobutyl-polyvinyl alcohol)-g-(lactide-co-glycolide) nanoparticles by protein adsorption: a mechanistic studyTobias Jung, Walter Kamm, Armin Breitenbach, et al.
Pageof 27