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Gerhard Klebe

Showing results (51-60 of 262) with videos related to

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Journal of Molecular Biology|February 24, 2007
Protonation changes upon ligand binding to trypsin and thrombin: structural interpretation based on pK(a) calculations and ITC experimentsPaul Czodrowski, Christoph A Sotriffer, Gerhard Klebe
Journal of Molecular Biology|May 23, 2008
Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining featuresHolger Steuber, Andreas Heine, Alberto Podjarny, et al.
Journal of Molecular Biology|February 1, 2003
Utilising structural knowledge in drug design strategies: applications using RelibaseJudith Günther, Andreas Bergner, Manfred Hendlich, et al.
Chemmedchem|August 19, 2007
Functional classification of protein kinase binding sites using CavbaseDaniel Kuhn, Nils Weskamp, Eyke Hüllermeier, et al.
Proteins|March 30, 2007
Strategies to search and design stabilizers of protein-protein interactions: a feasibility studyPeter Block, Nils Weskamp, Alexander Wolf, et al.
IEEE/ACM Transactions on Computational Biology and Bioinformatics|May 3, 2007
Multiple graph alignment for the structural analysis of protein active sitesNils Weskamp, Eyke Hüllermeier, Daniel Kuhn, et al.
Journal of Chemical Information and Modeling|October 28, 2014
Extraction of protein binding pockets in close neighborhood of bound ligands makes comparisons simple due to inherent shape similarityTimo Krotzky, Thomas Rickmeyer, Thomas Fober, et al.
Journal of Chemical Information and Modeling|December 5, 2014
Large-scale mining for similar protein binding pockets: with RAPMAD retrieval on the fly becomes realTimo Krotzky, Christian Grunwald, Ute Egerland, et al.
Chemmedchem|June 27, 2012
Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand bindingAdam Biela, Michael Betz, Andreas Heine, et al.
Journal of Medicinal Chemistry|May 13, 2005
AFMoC enhances predictivity of 3D QSAR: a case study with DOXP-reductoisomeraseKatrin Silber, Philipp Heidler, Thomas Kurz, et al.
Pageof 27

Showing results (51-60 of 262) with videos related to

Sort By:
Pageof 27
Journal of Molecular Biology|February 24, 2007
Protonation changes upon ligand binding to trypsin and thrombin: structural interpretation based on pK(a) calculations and ITC experimentsPaul Czodrowski, Christoph A Sotriffer, Gerhard Klebe
Journal of Molecular Biology|May 23, 2008
Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining featuresHolger Steuber, Andreas Heine, Alberto Podjarny, et al.
Journal of Molecular Biology|February 1, 2003
Utilising structural knowledge in drug design strategies: applications using RelibaseJudith Günther, Andreas Bergner, Manfred Hendlich, et al.
Chemmedchem|August 19, 2007
Functional classification of protein kinase binding sites using CavbaseDaniel Kuhn, Nils Weskamp, Eyke Hüllermeier, et al.
Proteins|March 30, 2007
Strategies to search and design stabilizers of protein-protein interactions: a feasibility studyPeter Block, Nils Weskamp, Alexander Wolf, et al.
IEEE/ACM Transactions on Computational Biology and Bioinformatics|May 3, 2007
Multiple graph alignment for the structural analysis of protein active sitesNils Weskamp, Eyke Hüllermeier, Daniel Kuhn, et al.
Journal of Chemical Information and Modeling|October 28, 2014
Extraction of protein binding pockets in close neighborhood of bound ligands makes comparisons simple due to inherent shape similarityTimo Krotzky, Thomas Rickmeyer, Thomas Fober, et al.
Journal of Chemical Information and Modeling|December 5, 2014
Large-scale mining for similar protein binding pockets: with RAPMAD retrieval on the fly becomes realTimo Krotzky, Christian Grunwald, Ute Egerland, et al.
Chemmedchem|June 27, 2012
Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand bindingAdam Biela, Michael Betz, Andreas Heine, et al.
Journal of Medicinal Chemistry|May 13, 2005
AFMoC enhances predictivity of 3D QSAR: a case study with DOXP-reductoisomeraseKatrin Silber, Philipp Heidler, Thomas Kurz, et al.
Pageof 27