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Emilio Gallicchio

Showing results (1-10 of 86) with videos related to

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Computational Molecular Bioscience|June 19, 2012
Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse TranscriptaseEmilio Gallicchio
Journal of Chemical Information and Modeling|March 26, 2025
Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer Method with Coordinate SwappingEmilio Gallicchio
Methods in Molecular Biology (Clifton, N.J.)|March 17, 2022
Free Energy-Based Computational Methods for the Study of Protein-Peptide Binding EquilibriaEmilio Gallicchio
The Journal of Chemical Physics|February 4, 2025
Potential distribution theory of alchemical transferSolmaz Azimi, Emilio Gallicchio
Frontiers in Molecular Biosciences|March 24, 2018
Assessment of a Single Decoupling Alchemical Approach for the Calculation of the Absolute Binding Free Energies of Protein-Peptide ComplexesDenise Kilburg, Emilio Gallicchio
Journal of Chemical Theory and Computation|November 13, 2018
Analytical Model of the Free Energy of Alchemical Molecular BindingDenise Kilburg, Emilio Gallicchio
Biophysical Chemistry|April 28, 2004
The non-polar solvent potential of mean force for the dimerization of alanine dipeptide: the role of solute-solvent van der Waals interactionsYang Su, Emilio Gallicchio
The Journal of Physical Chemistry. B|October 29, 2024
Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy CalculationsSolmaz Azimi, Emilio Gallicchio
Journal of Chemical Theory and Computation|January 22, 2024
What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics SamplingSheenam Khuttan, Emilio Gallicchio
Current Opinion in Structural Biology|February 23, 2011
Advances in all atom sampling methods for modeling protein-ligand binding affinitiesEmilio Gallicchio, Ronald M Levy
Pageof 9

Showing results (1-10 of 86) with videos related to

Sort By:
Pageof 9
Computational Molecular Bioscience|June 19, 2012
Role of Ligand Reorganization and Conformational Restraints on the Binding Free Energies of DAPY Non-Nucleoside Inhibitors to HIV Reverse TranscriptaseEmilio Gallicchio
Journal of Chemical Information and Modeling|March 26, 2025
Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer Method with Coordinate SwappingEmilio Gallicchio
Methods in Molecular Biology (Clifton, N.J.)|March 17, 2022
Free Energy-Based Computational Methods for the Study of Protein-Peptide Binding EquilibriaEmilio Gallicchio
The Journal of Chemical Physics|February 4, 2025
Potential distribution theory of alchemical transferSolmaz Azimi, Emilio Gallicchio
Frontiers in Molecular Biosciences|March 24, 2018
Assessment of a Single Decoupling Alchemical Approach for the Calculation of the Absolute Binding Free Energies of Protein-Peptide ComplexesDenise Kilburg, Emilio Gallicchio
Journal of Chemical Theory and Computation|November 13, 2018
Analytical Model of the Free Energy of Alchemical Molecular BindingDenise Kilburg, Emilio Gallicchio
Biophysical Chemistry|April 28, 2004
The non-polar solvent potential of mean force for the dimerization of alanine dipeptide: the role of solute-solvent van der Waals interactionsYang Su, Emilio Gallicchio
The Journal of Physical Chemistry. B|October 29, 2024
Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy CalculationsSolmaz Azimi, Emilio Gallicchio
Journal of Chemical Theory and Computation|January 22, 2024
What to Make of Zero: Resolving the Statistical Noise from Conformational Reorganization in Alchemical Binding Free Energy Estimates with Metadynamics SamplingSheenam Khuttan, Emilio Gallicchio
Current Opinion in Structural Biology|February 23, 2011
Advances in all atom sampling methods for modeling protein-ligand binding affinitiesEmilio Gallicchio, Ronald M Levy
Pageof 9