David J Huggins

22PUBLICATIONS
67CO-AUTHORS
Bioinformatic methods developmentCheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designHaematological tumoursObstetrics and gynaecology
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Publications (22)

|Dec 01, 2025
Relative BAT: An Automated Tool for Relative Binding Free Energy Calculations by the Separated Topologies Approach.

Germano Heinzelmann, David J Huggins, Michael K Gilson

|Sep 05, 2025
Discovery, Optimization, and Evaluation of Non-Nucleoside SARS-CoV-2 NSP14 Inhibitors.

Michael W Miller, Cindy Meyer, Aitor Garzia

|Apr 10, 2025
Comparing Molecules Generated by MMPDB and REINVENT4 with Ideas from Drug Discovery Design Teams.

Shan Sun, David J Huggins

|Apr 17, 2024
Lead Optimization of Small Molecule ENL YEATS Inhibitors to Enable In Vivo Studies: Discovery of TDI-11055.

Mayako Michino, Tanweer A Khan, Michael W Miller

|Mar 11, 2024
Next Generation Neuropeptide Y Receptor Small Molecule Agonists Inhibit Mosquito Biting Behavior.

Emely V Zeledon, Leigh A Baxt, Tanweer A Khan

|Jan 23, 2024
Addition to "Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation".

Shan Sun, Makoto Fushimi, Thomas Rossetti

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Frequent Collaborators

6 joint publications

Mayako Michino

5 joint publications

Peter T Meinke

5 joint publications

Robert W Myers

4 joint publications

Clemens Steegborn