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Gaurav K Ganotra

Showing results (1-10 of 6) with videos related to

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ACS Medicinal Chemistry Letters|November 16, 2018
Prediction of Drug-Target Binding Kinetics by Comparative Binding Energy AnalysisGaurav K Ganotra, Rebecca C Wade
Methods in Molecular Biology (Clifton, N.J.)|March 24, 2021
A Protocol to Use Comparative Binding Energy Analysis to Estimate Drug-Target Residence TimeGaurav K Ganotra, Ariane Nunes-Alves, Rebecca C Wade
Journal of Chemical Information and Modeling|October 4, 2025
A Multiscale Simulation Approach to Compute Protein-Ligand Association Rate Constants by Combining Brownian Dynamics and Molecular DynamicsAbraham Muñiz-Chicharro, Gaurav K Ganotra, Rebecca C Wade
Journal of Chemical Information and Modeling|August 6, 2019
KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular BindingNeil J Bruce, Gaurav K Ganotra, Stefan Richter, et al.
Current Opinion in Structural Biology|November 14, 2017
New approaches for computing ligand-receptor binding kineticsNeil J Bruce, Gaurav K Ganotra, Daria B Kokh, et al.
Angewandte Chemie (International Ed. in English)|March 31, 2018
Halogen-Aromatic π Interactions Modulate Inhibitor Residence TimesChristina Heroven, Victoria Georgi, Gaurav K Ganotra, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
ACS Medicinal Chemistry Letters|November 16, 2018
Prediction of Drug-Target Binding Kinetics by Comparative Binding Energy AnalysisGaurav K Ganotra, Rebecca C Wade
Methods in Molecular Biology (Clifton, N.J.)|March 24, 2021
A Protocol to Use Comparative Binding Energy Analysis to Estimate Drug-Target Residence TimeGaurav K Ganotra, Ariane Nunes-Alves, Rebecca C Wade
Journal of Chemical Information and Modeling|October 4, 2025
A Multiscale Simulation Approach to Compute Protein-Ligand Association Rate Constants by Combining Brownian Dynamics and Molecular DynamicsAbraham Muñiz-Chicharro, Gaurav K Ganotra, Rebecca C Wade
Journal of Chemical Information and Modeling|August 6, 2019
KBbox: A Toolbox of Computational Methods for Studying the Kinetics of Molecular BindingNeil J Bruce, Gaurav K Ganotra, Stefan Richter, et al.
Current Opinion in Structural Biology|November 14, 2017
New approaches for computing ligand-receptor binding kineticsNeil J Bruce, Gaurav K Ganotra, Daria B Kokh, et al.
Angewandte Chemie (International Ed. in English)|March 31, 2018
Halogen-Aromatic π Interactions Modulate Inhibitor Residence TimesChristina Heroven, Victoria Georgi, Gaurav K Ganotra, et al.
Pageof 1