Gary Tresadern

48PUBLICATIONS

119CO-AUTHORS

Cheminformatics and quantitative structure-activity relationshipsAutonomic nervous systemReinforcement learningAutonomous agents and multiagent systemsComputational chemistry

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Publications (48)

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|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

|Aug 02, 2024

ACEGEN: Reinforcement Learning of Generative Chemical Agents for Drug Discovery.

Albert Bou, Morgan Thomas, Sebastian Dittert

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Frequent Collaborators

11 joint publications

Andrés A Trabanco

11 joint publications

Herman W T van Vlijmen

David L Mobley

Laura Pérez-Benito

Bert L de Groot

Vytautas Gapsys

David F Hahn

John D Chodera

Peter V Coveney

Shunzhou Wan

Frequent Collaborators

11 joint publications

Andrés A Trabanco

11 joint publications

Herman W T van Vlijmen

9 joint publications

David L Mobley

8 joint publications

Laura Pérez-Benito