Gary Tresadern

49PUBLICATIONS
121CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsAutonomic nervous systemReinforcement learningAutonomous agents and multiagent systems
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Publications (49)

|Jul 16, 2026
Benchmarking Docking Protocols on Predicting Alternative Binding Modes.

|May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE.

|May 20, 2026
Discovery of 5‑Azaindole Inhibitors of O‑GlcNAcase for the Treatment of Alzheimer's Disease and Related Tauopathies.

|Nov 16, 2025
REINFORCE-ING Chemical Language Models for Drug Discovery.

Morgan Thomas, Albert Bou, Jose Carlos Gómez-Tamayo

|Oct 16, 2025
MolAgent: Biomolecular Property Estimation in the Agentic Era.

Jose Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts

|Jun 30, 2025
Quantification of the Impact of Structure Quality on Predicted Binding Free Energy Accuracy.

Sudarshan Behera, David F Hahn, Carter J Wilson

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Frequent Collaborators

11 joint publications

Andrés A Trabanco

11 joint publications

Herman W T van Vlijmen

10 joint publications

David L Mobley

8 joint publications

Vytautas Gapsys