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Browsing publications by Josh Horton.

Newcastle AuthorsTitleYearFull text
Josh Horton
Dr Daniel Cole
A transferable double exponential potential for condensed phase simulations of small molecules2023
Josh Horton
Dr Daniel Cole
Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative2023
Josh Horton
Dr Daniel Cole
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field2023
Josh Horton
Dr Daniel Cole
Fast, conformation-independent charges with graph convolutional networks2023
Josh Horton
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials2023
Dr Mat Bieniek
Ben Cree
Dr Rachael Pirie
Josh Horton
Dr Natalie Tatum
et al.
An Open-Source Molecular Builder and Free Energy Preparation Workflow2022
Dr Chris Ringrose
Josh Horton
Dr Daniel Cole
Exploration and Validation of Force Field Design Protocols through QM-to-MM Mapping2022
Josh Horton
Dr Daniel Cole
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization At Scale2022
Lauren Nelson
Dr Chris Ringrose
Josh Horton
Dr Vadiraj Kurdekar
Dr Daniel Cole
et al.
Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations2021
Josh Horton
Professor Thomas Penfold
Dr Daniel Cole
Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field2021
Josh Horton
Dr Daniel Cole
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics2019