Protein-Ligand Docking against Non-Native Protein Conformers. - Marcel L. Verdonk; Paul N. Mortenson; Richard J. Hall; Michael J. Hartshorn; Christopher W. Murray (J. Chem. Inf. Model., 2008)

Assessing the lipophilicity of fragments and early hits. - Paul N. Mortenson; Christopher W. Murray (J. Comput. Aided Mol. Des., 2011)

ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force Fields. - João Morado; Paul N. Mortenson; Marcel L. Verdonk; Richard A. Ward; Jonathan W. Essex; Chris-Kriton Skylaris (J. Chem. Inf. Model., 2021)

Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins. - João Morado; Paul N. Mortenson; J. Willem M. Nissink; Jonathan W. Essex; Chris-Kriton Skylaris (J. Chem. Inf. Model., 2023)