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Daniel Cappel

Showing results (1-10 of 13) with videos related to

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Current Topics in Medicinal Chemistry|April 18, 2017
Calculating Water Thermodynamics in the Binding Site of Proteins - Applications of WaterMap to Drug DiscoveryDaniel Cappel, Woody Sherman, Thijs Beuming
Journal of Chemical Information and Modeling|January 28, 2020
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy SimulationsDaniel Cappel, Steven Jerome, Gerhard Hessler, et al.
Journal of Chemical Information and Modeling|June 25, 2021
Performance of Relative Binding Free Energy Calculations on an Automatically Generated Dataset of Halogen-Deshalogen Matched Molecular PairsDaniel Cappel, Jean-Christophe Mozziconacci, Tatjana Braun, et al.
Journal of Computer-Aided Molecular Design|November 20, 2014
Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modelingDaniel Cappel, Steven L Dixon, Woody Sherman, et al.
Journal of Chemical Information and Modeling|September 16, 2011
Probing the dynamic nature of water molecules and their influences on ligand binding in a model binding siteDaniel Cappel, Rickard Wahlström, Ruth Brenk, et al.
Plos One|March 2, 2013
Molecular dynamics reveal binding mode of glutathionylspermidine by trypanothione synthetaseOliver Koch, Daniel Cappel, Monika Nocker, et al.
Journal of Chemical Information and Modeling|December 28, 2016
Relative Binding Free Energy Calculations Applied to Protein Homology ModelsDaniel Cappel, Michelle Lynn Hall, Eelke B Lenselink, et al.
Journal of Medicinal Chemistry|July 10, 2014
Optimization of potent DFG-in inhibitors of platelet derived growth factor receptorβ (PDGF-Rβ) guided by water thermodynamicsRebecca Horbert, Boris Pinchuk, Eugen Johannes, et al.
Journal of Chemical Information and Modeling|October 13, 2015
Accurate Binding Free Energy Predictions in Fragment OptimizationThomas B Steinbrecher, Markus Dahlgren, Daniel Cappel, et al.
Chemmedchem|November 1, 2018
The Role of Bridging Water and Hydrogen Bonding as Key Determinants of Noncovalent Protein-Carbohydrate RecognitionAnatoly M Ruvinsky, Ishita Aloni, Daniel Cappel, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
Current Topics in Medicinal Chemistry|April 18, 2017
Calculating Water Thermodynamics in the Binding Site of Proteins - Applications of WaterMap to Drug DiscoveryDaniel Cappel, Woody Sherman, Thijs Beuming
Journal of Chemical Information and Modeling|January 28, 2020
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy SimulationsDaniel Cappel, Steven Jerome, Gerhard Hessler, et al.
Journal of Chemical Information and Modeling|June 25, 2021
Performance of Relative Binding Free Energy Calculations on an Automatically Generated Dataset of Halogen-Deshalogen Matched Molecular PairsDaniel Cappel, Jean-Christophe Mozziconacci, Tatjana Braun, et al.
Journal of Computer-Aided Molecular Design|November 20, 2014
Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modelingDaniel Cappel, Steven L Dixon, Woody Sherman, et al.
Journal of Chemical Information and Modeling|September 16, 2011
Probing the dynamic nature of water molecules and their influences on ligand binding in a model binding siteDaniel Cappel, Rickard Wahlström, Ruth Brenk, et al.
Plos One|March 2, 2013
Molecular dynamics reveal binding mode of glutathionylspermidine by trypanothione synthetaseOliver Koch, Daniel Cappel, Monika Nocker, et al.
Journal of Chemical Information and Modeling|December 28, 2016
Relative Binding Free Energy Calculations Applied to Protein Homology ModelsDaniel Cappel, Michelle Lynn Hall, Eelke B Lenselink, et al.
Journal of Medicinal Chemistry|July 10, 2014
Optimization of potent DFG-in inhibitors of platelet derived growth factor receptorβ (PDGF-Rβ) guided by water thermodynamicsRebecca Horbert, Boris Pinchuk, Eugen Johannes, et al.
Journal of Chemical Information and Modeling|October 13, 2015
Accurate Binding Free Energy Predictions in Fragment OptimizationThomas B Steinbrecher, Markus Dahlgren, Daniel Cappel, et al.
Chemmedchem|November 1, 2018
The Role of Bridging Water and Hydrogen Bonding as Key Determinants of Noncovalent Protein-Carbohydrate RecognitionAnatoly M Ruvinsky, Ishita Aloni, Daniel Cappel, et al.
Pageof 2