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David J Huggins

Showing results (1-10 of 65) with videos related to

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Journal of Computational Chemistry|March 30, 2012
Benchmarking the thermodynamic analysis of water molecules around a model beta sheetDavid J Huggins
The Journal of Chemical Physics|February 25, 2012
Correlations in liquid water for the TIP3P-Ewald, TIP4P-2005, TIP5P-Ewald, and SWM4-NDP modelsDavid J Huggins
Physical Chemistry Chemical Physics : PCCP|October 6, 2012
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomoleculesDavid J Huggins
Journal of Structural Biology|September 17, 2016
Studying the role of cooperative hydration in stabilizing folded protein statesDavid J Huggins
Journal of Chemical Theory and Computation|March 10, 2022
Comparing the Performance of Different AMBER Protein Forcefields, Partial Charge Assignments, and Water Models for Absolute Binding Free Energy CalculationsDavid J Huggins
Journal of Molecular Graphics & Modelling|August 24, 2020
Structural analysis of experimental drugs binding to the SARS-CoV-2 target TMPRSS2David J Huggins
Journal of Computational Chemistry|December 7, 2013
Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimationDavid J Huggins
Journal of Chemical Theory and Computation|November 21, 2015
Estimating Translational and Orientational Entropies Using the k-Nearest Neighbors AlgorithmDavid J Huggins
Biophysical Journal|February 19, 2015
Quantifying the entropy of binding for water molecules in protein cavities by computing correlationsDavid J Huggins
Drug Discovery Today|March 10, 2018
Quantitative metrics for drug-target ligandabilitySinisa Vukovic, David J Huggins
Pageof 7

Showing results (1-10 of 65) with videos related to

Sort By:
Pageof 7
Journal of Computational Chemistry|March 30, 2012
Benchmarking the thermodynamic analysis of water molecules around a model beta sheetDavid J Huggins
The Journal of Chemical Physics|February 25, 2012
Correlations in liquid water for the TIP3P-Ewald, TIP4P-2005, TIP5P-Ewald, and SWM4-NDP modelsDavid J Huggins
Physical Chemistry Chemical Physics : PCCP|October 6, 2012
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomoleculesDavid J Huggins
Journal of Structural Biology|September 17, 2016
Studying the role of cooperative hydration in stabilizing folded protein statesDavid J Huggins
Journal of Chemical Theory and Computation|March 10, 2022
Comparing the Performance of Different AMBER Protein Forcefields, Partial Charge Assignments, and Water Models for Absolute Binding Free Energy CalculationsDavid J Huggins
Journal of Molecular Graphics & Modelling|August 24, 2020
Structural analysis of experimental drugs binding to the SARS-CoV-2 target TMPRSS2David J Huggins
Journal of Computational Chemistry|December 7, 2013
Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimationDavid J Huggins
Journal of Chemical Theory and Computation|November 21, 2015
Estimating Translational and Orientational Entropies Using the k-Nearest Neighbors AlgorithmDavid J Huggins
Biophysical Journal|February 19, 2015
Quantifying the entropy of binding for water molecules in protein cavities by computing correlationsDavid J Huggins
Drug Discovery Today|March 10, 2018
Quantitative metrics for drug-target ligandabilitySinisa Vukovic, David J Huggins
Pageof 7