All Stories

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

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

    Article • September 2010, Wiley

    Dr Christopher John Woods

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

    Article • Journal of Computational Chemistry, February 2010, Wiley

    Dr Christopher John Woods

  8. 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

  9. Multicore Parallelization of Kohn−Sham Theory

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

    Dr Christopher John Woods

  10. 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

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

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

    Dr Christopher John Woods

  12. Massively Multicore Parallelization of Kohn−Sham Theory

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

    Dr Christopher John Woods

  13. 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

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

    Article • January 2008, Elsevier

    Dr Christopher John Woods

  15. 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

  16. 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

  17. 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

  18. Multiscale modelling of biological systems

    Article • Royal Society of Chemistry

    Dr Christopher John Woods

  19. Replica-Exchange-Based Free-Energy Methods

    Article • Springer Science + Business Media

    Dr Christopher John Woods