All Stories

  1. Yoink: An interaction-based partitioning API

    Article • Journal of Computational Chemistry, January 2018, Wiley

    Dr Mark P Waller

  2. Toward more efficient density-based adaptive QM/MM methods

    Article • International Journal of Quantum Chemistry, December 2016, Wiley

    Dr Mark P Waller

  3. Adaptive quantum mechanics/molecular mechanics methods

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, April 2016, Wiley

    Dr Mark P Waller

  4. Naturally and synthetically linked lys48 diubiquitin: a QM/MM study

    Article • RSC Advances, January 2013, Royal Society of Chemistry

    Dr Mark P Waller