David J. Huggins
Orcid: 0000-0003-1579-2496
According to our database1,
David J. Huggins
authored at least 9 papers
between 2010 and 2024.
Collaborative distances:
Collaborative distances:
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Bibliography
2024
Addition to "Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation".
J. Chem. Inf. Model., 2024
2023
Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J. Chem. Inf. Model., May, 2023
2020
Identification of Optimal Ligand Growth Vectors Using an Alchemical Free-Energy Method.
J. Chem. Inf. Model., 2020
2019
J. Chem. Inf. Model., 2019
2018
Assimilating Radial Distribution Functions To Build Water Models with Improved Structural Properties.
J. Chem. Inf. Model., 2018
2014
Comparing distance metrics for rotation using the <i>k</i>-nearest neighbors algorithm for entropy estimation.
J. Comput. Chem., 2014
2013
Combining Solvent Thermodynamic Profiles with Functionality Maps of the Hsp90 Binding Site to Predict the Displacement of Water Molecules.
J. Chem. Inf. Model., 2013
2012
Benchmarking the thermodynamic analysis of water molecules around a model beta sheet.
J. Comput. Chem., 2012
2010
Computational Analysis of Phosphopeptide Binding to the Polo-Box Domain of the Mitotic Kinase PLK1 Using Molecular Dynamics Simulation.
PLoS Comput. Biol., 2010