Dr Christopher Woods

Latest publications

• Raza, S, Ranaghan, K, Kamp, MVd, Woods, C, Mulholland, A & Azam, SS, 2019, ‘Visualizing protein–ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site’. Journal of Computer-Aided Molecular Design, vol 33., pp. 461-475
• Vragniau, C, Bufton, JC, Garzoni, F, Stermann, E, Rabi, F, Terrat, C, Guidetti, M, Josserand, V, Williams, M, Woods, CJ, Viedma, G, Bates, P, Verrier, B, Chaperot, L, Schaffitzel, C, Berger, I & Fender, P, 2019, ‘Synthetic self-assembling ADDomer platform for highly efficient vaccination by genetically encoded multiepitope display’. Science Advances, vol 5.
• Callegari, D, Ranaghan, K, Woods, C, Minari, R, Tiseo, M, Mor, M, Mulholland, A & Lodola, A, 2018, ‘L718Q mutant EGFR escapes covalent inhibition by stabilizing a non-reactive conformation of the lung cancer drug osimertinib’. Chemical Science.
• Haldar, S, Comitani, F, Saladino, G, Woods, C, Kamp, MVd, Mulholland, A & Gervasio, FL, 2018, ‘A multiscale simulation approach to modelling drug-protein binding kinetics’. Journal of Chemical Theory and Computation.
• Calabrò, G, Woods, CJ, Powlesland, F, Mey, ASJS, Mulholland, AJ & Michel, J, 2016, ‘Elucidation of Nonadditive Effects in Protein-Ligand Binding Energies: Thrombin as a Case Study’. Journal of Physical Chemistry B, vol 120., pp. 5340-5350
• Woods, C, 2015, ‘FESetup: Automating Setup for Alchemical Free Energy Simulations’. Journal of Chemical Information and Modeling.
• Sampson, C, Fox, T, Tautermann, C, Woods, C & Skylaris, C-K, 2015, ‘A "Stepping Stone" Approach for Obtaining Quantum Free Energies of Hydration’. Journal of Physical Chemistry B, vol 119., pp. 7030-7040
• Woods, CJ, Shaw, KE & Mulholland, AJ, 2015, ‘Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein-ligand complexes: Free energies of binding of water molecules in influenza neuraminidase’. Journal of Physical Chemistry B, vol 119., pp. 997-1001
• Woods, CJ, Malaisree, M, Michel, J, Long, B, McIntosh-Smith, S & Mulholland, AJ, 2014, ‘Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water’. Faraday Discussions, vol 169., pp. 477-499
• Smith, D, Woods, C, Seddon, A & Hoerber, H, 2014, ‘Photophoretic separation of single-walled carbon nanotubes: A novel approach to selective chiral sorting’. Physical Chemistry Chemical Physics, vol 16., pp. 5221-5228