Visualizing protein-ligand binding with chemical energy-wise decomposition (CHEWD): application to ligand binding in the kallikrein-8 S1 Site. - Saad Raza; Kara E. Ranaghan; Marc van der Kamp; Christopher J. Woods; Adrian J. Mulholland; Syed Sikander Azam (J. Comput. Aided Mol. Des., 2019)

Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution. - Kara E. Ranaghan; Darya Shchepanovska; Simon J. Bennie; Narin Lawan; Stephen J. Macrae; Jolanta Zurek; Frederick R. Manby; Adrian J. Mulholland (J. Chem. Inf. Model., 2019)

Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach. - Oscar A. Douglas-Gallardo; Ian Shepherd; Simon J. Bennie; Kara E. Ranaghan; Adrian J. Mulholland; Esteban Vöhringer-Martinez (J. Comput. Chem., 2020)