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David J Huggins

Showing results (11-20 of 65) with videos related to

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Journal of Chemical Information and Modeling|September 28, 2013
Combining solvent thermodynamic profiles with functionality maps of the Hsp90 binding site to predict the displacement of water moleculesKamran Haider, David J Huggins
Protein Engineering, Design & Selection : PEDS|July 21, 2011
Systematic placement of structural water molecules for improved scoring of protein-ligand interactionsDavid J Huggins, Bruce Tidor
Journal of Chemical Information and Modeling|April 10, 2025
Comparing Molecules Generated by MMPDB and REINVENT4 with Ideas from Drug Discovery Design TeamsShan Sun, David J Huggins
Frontiers in Molecular Biosciences|October 13, 2022
Assessing the effect of forcefield parameter sets on the accuracy of relative binding free energy calculationsShan Sun, David J Huggins
Journal of Molecular Graphics & Modelling|January 27, 2005
The function of the amino terminal domain in NMDA receptor modulationDavid J Huggins, Guy H Grant
Journal of Chemical Theory and Computation|October 5, 2019
Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy MethodAlexander D Wade, David J Huggins
The Journal of Physical Chemistry. B|June 15, 2013
Assessing the accuracy of inhomogeneous fluid solvation theory in predicting hydration free energies of simple solutesDavid J Huggins, Mike C Payne
Journal of Chemical Information and Modeling|August 19, 2020
Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy MethodAlexander D Wade, David J Huggins
The Journal of Chemical Physics|May 22, 2017
On the accuracy of one- and two-particle solvation entropiesBenedict W J Irwin, David J Huggins
Journal of Chemical Theory and Computation|May 2, 2018
Estimating Atomic Contributions to Hydration and Binding Using Free Energy PerturbationBenedict W J Irwin, David J Huggins
Pageof 7

Showing results (11-20 of 65) with videos related to

Sort By:
Pageof 7
Journal of Chemical Information and Modeling|September 28, 2013
Combining solvent thermodynamic profiles with functionality maps of the Hsp90 binding site to predict the displacement of water moleculesKamran Haider, David J Huggins
Protein Engineering, Design & Selection : PEDS|July 21, 2011
Systematic placement of structural water molecules for improved scoring of protein-ligand interactionsDavid J Huggins, Bruce Tidor
Journal of Chemical Information and Modeling|April 10, 2025
Comparing Molecules Generated by MMPDB and REINVENT4 with Ideas from Drug Discovery Design TeamsShan Sun, David J Huggins
Frontiers in Molecular Biosciences|October 13, 2022
Assessing the effect of forcefield parameter sets on the accuracy of relative binding free energy calculationsShan Sun, David J Huggins
Journal of Molecular Graphics & Modelling|January 27, 2005
The function of the amino terminal domain in NMDA receptor modulationDavid J Huggins, Guy H Grant
Journal of Chemical Theory and Computation|October 5, 2019
Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy MethodAlexander D Wade, David J Huggins
The Journal of Physical Chemistry. B|June 15, 2013
Assessing the accuracy of inhomogeneous fluid solvation theory in predicting hydration free energies of simple solutesDavid J Huggins, Mike C Payne
Journal of Chemical Information and Modeling|August 19, 2020
Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy MethodAlexander D Wade, David J Huggins
The Journal of Chemical Physics|May 22, 2017
On the accuracy of one- and two-particle solvation entropiesBenedict W J Irwin, David J Huggins
Journal of Chemical Theory and Computation|May 2, 2018
Estimating Atomic Contributions to Hydration and Binding Using Free Energy PerturbationBenedict W J Irwin, David J Huggins
Pageof 7