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ACS Medicinal Chemistry Letters
|
November 16, 2018
Prediction of Drug-Target Binding Kinetics by Comparative Binding Energy Analysis
Gaurav 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 Time
Gaurav 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 Dynamics
Abraham 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 Binding
Neil J Bruce, Gaurav K Ganotra, Stefan Richter, et al.
Current Opinion in Structural Biology
|
November 14, 2017
New approaches for computing ligand-receptor binding kinetics
Neil 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 Times
Christina Heroven, Victoria Georgi, Gaurav K Ganotra, et al.
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of 1
Search research articles
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Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
ACS Medicinal Chemistry Letters
|
November 16, 2018
Prediction of Drug-Target Binding Kinetics by Comparative Binding Energy Analysis
Gaurav 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 Time
Gaurav 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 Dynamics
Abraham 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 Binding
Neil J Bruce, Gaurav K Ganotra, Stefan Richter, et al.
Current Opinion in Structural Biology
|
November 14, 2017
New approaches for computing ligand-receptor binding kinetics
Neil 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 Times
Christina Heroven, Victoria Georgi, Gaurav K Ganotra, et al.
Page
of 1