Showing results (11-20 of 771) with videos related to
Sort By:
Pageof 78
Journal of Computational Chemistry|December 7, 2013
Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimationDavid J HugginsDrug Discovery Today|March 10, 2018
Quantitative metrics for drug-target ligandabilitySinisa Vukovic, David J HugginsJournal 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 HugginsProtein Engineering, Design & Selection : PEDS|July 21, 2011
Systematic placement of structural water molecules for improved scoring of protein-ligand interactionsDavid J Huggins, Bruce TidorRSC Medicinal Chemistry|August 6, 2021
Deglycase-activity oriented screening to identify DJ-1 inhibitorsIgor Maksimovic, Efrat Finkin-Groner, Yoshiyuki Fukase, et al.Journal of Molecular Graphics & Modelling|January 27, 2005
The function of the amino terminal domain in NMDA receptor modulationDavid J Huggins, Guy H GrantJournal of Chemical Theory and Computation|October 5, 2019
Optimization of Protein-Ligand Electrostatic Interactions Using an Alchemical Free-Energy MethodAlexander D Wade, David J HugginsThe 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 PayneJournal of Chemical Information and Modeling|August 19, 2020
Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy MethodAlexander D Wade, David J HugginsThe Journal of Chemical Physics|May 22, 2017
On the accuracy of one- and two-particle solvation entropiesBenedict W J Irwin, David J HugginsPageof 78