Toggle Main Menu Toggle Search

Open Access padlockePrints

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
Rachael Pirie
Josh Horton
Dr Natalie Tatum
et al.
An Open-Source Molecular Builder and Free Energy Preparation Workflow2022
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
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