Christopher J Woods

Biomolecular simulation and modelling: status, progress and prospects

Christopher J. Woods, Adrian J Mulholland, Marc W van der Kamp, 2008, Journal of The Royal Society Interface.

Grid computing and biomolecular simulation

Kaihsu Tai, Muan Hong Ng, Steven J. Johnston, 2005, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Fluoride-selective binding in a new deep cavity calix[4]pyrrole: experiment and theory.

Christopher J. Woods, Jonathan W Essex, Simon J Coles, 2002, Journal of the American Chemical Society.

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

Christopher J. Woods, Adrian J Mulholland, Frederick R Manby, 2008, The Journal of chemical physics.

Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein-ligand complexes: free energies of binding of water molecules in influenza neuraminidase.

Christopher J. Woods, Adrian J Mulholland, Katherine E Shaw, 2015, The journal of physical chemistry. B.

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

Christopher J. Woods, Adrian J Mulholland, Katherine E Shaw, 2009, Journal of chemical theory and computation.

Long time scale GPU dynamics reveal the mechanism of drug resistance of the dual mutant I223R/H275Y neuraminidase from H1N1-2009 influenza virus.

Supot Hannongbua, Christopher J. Woods, Adrian J Mulholland, 2012, Biochemistry.

Analysis and assay of oseltamivir-resistant mutants of influenza neuraminidase via direct observation of drug unbinding and rebinding in simulation.

Christopher J. Woods, Adrian J Mulholland, Simon McIntosh-Smith, 2013, Biochemistry.

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

Supot Hannongbua, Christopher J. Woods, Adrian J Mulholland, 2011, The Journal of chemical physics.

Elucidation of Nonadditive Effects in Protein-Ligand Binding Energies: Thrombin as a Case Study.

Julien Michel, Christopher J. Woods, Adrian J Mulholland, 2016, The journal of physical chemistry. B.

Multicore Parallelization of Kohn-Sham Theory.

Frederick R Manby, Christopher J Woods, Philip Brown, 2009, Journal of chemical theory and computation.