The configurational dependence of binding free energies: A Poisson-Boltzmann study of Neuraminidase inhibitors. - Christopher J. Woods; Michael A. King; Jonathan W. Essex (J. Comput. Aided Mol. Des., 2001)

A massively multicore parallelization of the Kohn-Sham energy gradients. - Philip Brown; Christopher J. Woods; Simon McIntosh-Smith; Frederick R. Manby (J. Comput. Chem., 2010)

FESetup: Automating Setup for Alchemical Free Energy Simulations. - Hannes H. Loeffler; Julien Michel; Christopher J. Woods (J. Chem. Inf. Model., 2015)

Visualizing protein-ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site. - Saad Raza; Kara E. Ranaghan; Marc van der Kamp; Christopher J. Woods; Adrian J. Mulholland; Syed Sikander Azam (J. Comput. Aided Mol. Des., 2019)

Sharing Data from Molecular Simulations. - Mark James Abraham; Rossen Apostolov; Jonathan Barnoud; Paul Bauer; Christian Blau; Alexandre M. J. J. Bonvin; Matthieu Chavent; John D. Chodera; Karmen Condic-Jurkic; Lucie Delemotte; Helmut Grubmüller; Rebecca J. Howard; et al. (J. Chem. Inf. Model., 2019)

BioSimSpace: An interoperable Python framework for biomolecular simulation. - Lester O. Hedges; Antonia S. J. S. Mey; Charles A. Laughton; Francesco L. Gervasio; Adrian J. Mulholland; Christopher J. Woods; Julien Michel (J. Open Source Softw., 2019)

MetaWards: A flexible metapopulation framework for modelling disease spread. - Christopher J. Woods; Lester O. Hedges; Christopher Edsall; Ellen Brooks-Pollock; Christopher Parton-Fenton; Trevelyan J. McKinley; Matt J. Keeling; Leon Danon (J. Open Source Softw., 2022)

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol. - Abigail C. Dommer; Lorenzo Casalino; Fiona L. Kearns; Mia A. Rosenfeld; Nicholas Wauer; Surl-Hee Ahn; John Russo 003; A. Sofia F. Oliveira; Clare Morris; Anthony T. Bogetti; Anda Trifan; Alexander Brace; et al. (Int. J. High Perform. Comput. Appl., 2023)

Federated Single Sign-On and Zero Trust Co-design for AI and HPC Digital Research Infrastructures. - Sadaf R. Alam; Christopher J. Woods; Matt Williams; Dave Moore; Isaac Prior; Ethan Williams; Anna Price; James Womack; Simon McIntosh-Smith; Fan Yang-Turner; Matt Pryor; Ilja Livenson (SC Workshops, 2024)

Cluster in the Cloud - Scalable, Heterogeneous Compute Clusters for HPC, HTC and AI in the Public Cloud or On-Premise. - Matt Williams; Christopher Edsall; Christopher J. Woods; Sadaf R. Alam (ISC Workshops, 2024)

Isambard-AI: a leadership class supercomputer optimised specifically for Artificial Intelligence. - Simon McIntosh-Smith; Sadaf R. Alam; Christopher J. Woods (CoRR, 2024)

Federated Single Sign-On and Zero Trust Co-design for AI and HPC Digital Research Infrastructures. - Sadaf R. Alam; Christopher J. Woods; Matt Williams; Dave Moore; Isaac Prior; Ethan Williams; Fan Yang-Turner; Matt Pryor; Ilja Livenson (CoRR, 2024)

4DModeller: a spatio-temporal modelling package. - John M. Aiken; Gareth Jones; Xueqing Yin; Anrijs Abele; Christopher J. Woods; Richard M. Westaway; Jonathan L. Bamber (J. Open Source Softw., 2025)