All Stories

  1. Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs

    Article • The Journal of Chemical Physics, May 2024, American Institute of Physics

    Dr Christopher John Woods

  2. Rapid decomposition and visualisation of protein–ligand binding free energies by residue and by water

    Article • Faraday Discussions, January 2014, Royal Society of Chemistry

    Dr Christopher John Woods

  3. Computational Assay of H7N9 Influenza Neuraminidase Reveals R292K Mutation Reduces Drug Binding Affinity

    Article • Scientific Reports, December 2013, Springer Science + Business Media

    Dr Christopher John Woods

  4. Analysis and Assay of Oseltamivir-Resistant Mutants of Influenza Neuraminidase via Direct Observation of Drug Unbinding and Rebinding in Simulation

    Article • Biochemistry, October 2013, American Chemical Society (ACS)

    Dr Christopher John Woods

  5. Long Time Scale GPU Dynamics Reveal the Mechanism of Drug Resistance of the Dual Mutant I223R/H275Y Neuraminidase from H1N1-2009 Influenza Virus

    Article • Biochemistry, May 2012, American Chemical Society (ACS)

    Dr Christopher John Woods

  6. A water-swap reaction coordinate for the calculation of absolute protein–ligand binding free energies

    Article • The Journal of Chemical Physics, February 2011, American Institute of Physics

    Dr Christopher John Woods

  7. QM and QM / MM Approaches to Evaluating Binding Affinities

    Article • September 2010, Wiley

    Dr Christopher John Woods

  8. A massively multicore parallelization of the Kohn‐Sham energy gradients

    Article • Journal of Computational Chemistry, February 2010, Wiley

    Dr Christopher John Woods

  9. Compatibility of Quantum Chemical Methods and Empirical (MM) Water Models in Quantum Mechanics/Molecular Mechanics Liquid Water Simulations

    Article • The Journal of Physical Chemistry Letters, November 2009, American Chemical Society (ACS)

    Dr Christopher John Woods

  10. Multicore Parallelization of Kohn−Sham Theory

    Article • Journal of Chemical Theory and Computation, June 2009, American Chemical Society (ACS)

    Dr Christopher John Woods

  11. Lennard−Jones Parameters for B3LYP/CHARMM27 QM/MM Modeling of Nucleic Acid Bases

    Article • Journal of Chemical Theory and Computation, January 2009, American Chemical Society (ACS)

    Dr Kittusamy Senthilkumar, Dr Christopher John Woods

  12. Biomolecular simulation and modelling: status, progress and prospects

    Article • Journal of The Royal Society Interface, December 2008, Royal Society Publishing

    Dr Christopher John Woods

  13. Massively Multicore Parallelization of Kohn−Sham Theory

    Article • Journal of Chemical Theory and Computation, September 2008, American Chemical Society (ACS)

    Dr Christopher John Woods

  14. An efficient method for the calculation of quantum mechanics/molecular mechanics free energies

    Article • The Journal of Chemical Physics, January 2008, American Institute of Physics

    Dr Christopher John Woods

  15. Applications and Advances of QM/MM Methods in Computational Enzymology

    Article • January 2008, Elsevier

    Dr Christopher John Woods

  16. Grid computing and biomolecular simulation

    Article • Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences, August 2005, Royal Society Publishing

    Dr Christopher John Woods, Jeremy Frey, Jeremy Frey

  17. The Development of Replica-Exchange-Based Free-Energy Methods

    Article • The Journal of Physical Chemistry B, November 2003, American Chemical Society (ACS)

    Dr Christopher John Woods

  18. Fluoride-Selective Binding in a New Deep Cavity Calix[4]pyrrole:  Experiment and Theory

    Article • Journal of the American Chemical Society, June 2002, American Chemical Society (ACS)

    Professor Philip Gale, Dr Simon J Coles, Dr Christopher John Woods

  19. Multiscale modelling of biological systems

    Article • Royal Society of Chemistry

    Dr Christopher John Woods

  20. Replica-Exchange-Based Free-Energy Methods

    Article • Springer Science + Business Media

    Dr Christopher John Woods