Daniel J Cole
20PUBLICATIONS
81CO-AUTHORS
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Publications (20)
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|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
|Nov 09, 2022
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale.Joshua T Horton, Simon Boothroyd, Jeffrey Wagner
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Frequent Collaborators
8 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
2 joint publications
John D Chodera
2 joint publications
Rachael Pirie
2 joint publications
Simon Boothroyd
2 joint publications
Mateusz K Bieniek
2 joint publications
William L Jorgensen
2 joint publications
Antonia S J S Mey
