2016

  • S. Alowayyed, D. Groen, P. V. Coveney, A. G. Hoekstra, “Multiscale Computing in the Exascale Era”, Preprint (2016), arXiv:1612.02467
  • A. Bhati, S. Wan, Shunzhou, D. Wright, David, P. V. Coveney, “Rapid, accurate, precise and reliable relative free energy prediction using ensemble based thermodynamic integration”, Journal of Chemical Theory and Computation, Available Online (2016), DOI: 10.1021/acs.jctc.6b00979
  • 2017

  • P. V. Coveney and R. Highfield, “Opinion: Is big data just big hype?”, Longevity Bulletin: Big data in health, Institute and Faculty of Actuaries, 11-12 (2017), ISSN 2397-7213
  • S. Wan, A. Bhati, S. Skerratt, K. Omoto, V. Shanmugasund, S. Bagal, P. V. Coveney, “Evaluation and Characterization of Trk Kinase Inhibitors for the Treatment of Pain: Reliable Binding Affinity Predictions from Theory and Computation”, Journal of Chemical Information and Modelling, In Press (2017)