Michael K Gilson

48PUBLICATIONS
139CO-AUTHORS
Computational modelling and simulation in earth sciencesBioinformatic methods developmentCheminformatics and quantitative structure-activity relationshipsProteins and peptidesChemical thermodynamics and energetics
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Publications (48)

|Apr 02, 2026
Quantifying Spatially Resolved Hydration Thermodynamics Using Grid Inhomogeneous Solvation Theory [Article v1.0].

Valentin J Egger-Hoerschinger, Franz Waibl, Vjay Molino

|Jan 23, 2026
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0].

Chapin E Cavender, David A Case, Julian C-H Chen

|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

|Oct 04, 2025
Assessment of Pharmaceutical Protein-Ligand Pose and Affinity Predictions in CASP16.

Michael K Gilson, Jerome Eberhardt, Peter Škrinjar

|Oct 03, 2025
The CASP 16 Experimental Protein-Ligand Datasets.

Andreas Tosstorff, Markus G Rudolph, Jörg Benz

|Jul 07, 2025
A Simple, Polarizable, Rigid, 3-Point Water Model Using the Direct Polarization Approximation.

Liangyue W Drew, Michael K Gilson

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Frequent Collaborators

12 joint publications

David Mobley

8 joint publications

Niel M Henriksen

7 joint publications

John D Chodera

5 joint publications

Michael R Shirts