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Chemical Communications (Cambridge, England)|December 19, 2019
Modelling flexible protein-ligand binding in p38α MAP kinase using the QUBE force fieldJoshua T Horton, Alice E A Allen, Daniel J ColePhysical Chemistry Chemical Physics : PCCP|July 6, 2022
Exploration and validation of force field design protocols through QM-to-MM mappingChris Ringrose, Joshua T Horton, Lee-Ping Wang, et al.Journal of Chemical Information and Modeling|February 12, 2019
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum MechanicsJoshua T Horton, Alice E A Allen, Leela S Dodda, et al.Journal of Chemical Theory and Computation|July 15, 2021
Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force FieldLupeng Yang, Joshua T Horton, Michael C Payne, et al.Digital Discovery|November 28, 2023
A transferable double exponential potential for condensed phase simulations of small moleculesJoshua T Horton, Simon Boothroyd, Pavan Kumar Behara, et al.Communications Chemistry|November 2, 2022
An open-source molecular builder and free energy preparation workflowMateusz K Bieniek, Ben Cree, Rachael Pirie, et al.Journal of Chemical Theory and Computation|November 26, 2025
A Graph Neural Network Charge Model Targeting Accurate Electrostatic Properties of Organic MoleculesCharlie Adams, Joshua T Horton, Lily Wang, et al.Journal of Chemical Information and Modeling|April 22, 2021
Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy CalculationsLauren Nelson, Sofia Bariami, Chris Ringrose, et al.The Journal of Physical Chemistry. B|August 1, 2024
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force FieldsPavan Kumar Behara, Hyesu Jang, Joshua T Horton, et al.Journal of the American Chemical Society|May 19, 2025
MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic MoleculesDávid Péter Kovács, J Harry Moore, Nicholas J Browning, et al.Pageof 2