Daniel J Cole

21PUBLICATIONS
81CO-AUTHORS
Biomolecular modelling and designBioinformatic methods developmentTheoretical quantum chemistryCheminformatics and quantitative structure-activity relationshipsMicroelectromechanical systems (MEMS)
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Publications (21)

|Oct 26, 2026
Evaluation of Physics-Based Pose Prediction and the Role of Receptor Flexibility in a Community Antiviral Blind Challenge.

|Feb 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data.

Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum

|Nov 26, 2025
A Graph Neural Network Charge Model Targeting Accurate Electrostatic Properties of Organic Molecules.

Charlie Adams, Joshua T Horton, Lily Wang

|Jan 16, 2025
Active learning driven prioritisation of compounds from on-demand libraries targeting the SARS-CoV-2 main protease.

Ben Cree, Mateusz K Bieniek, Siddique Amin

|Sep 23, 2024
An analysis of the physicochemical properties of oral drugs from 2000 to 2022.

Rachael Pirie, Harriet A Stanway-Gordon, Hannah L Stewart

|Nov 28, 2023
A transferable double exponential potential for condensed phase simulations of small molecules.

Joshua T Horton, Simon Boothroyd, Pavan Kumar Behara

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Frequent Collaborators

9 joint publications

Joshua T Horton

3 joint publications

Alice E A Allen

2 joint publications

Nicholas D M Hine

2 joint publications

David L Mobley