Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interface region and geometry optimization with an application to chorismate mutase. - Richard J. Hall; Sally A. Hindle; Neil A. Burton; Ian H. Hillier (J. Comput. Chem., 2000)

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)

Potential and Limitations of Ensemble Docking. - Oliver Korb; Tjelvar S. G. Olsson; Simon Bowden; Richard J. Hall; Marcel L. Verdonk; John W. Liebeschuetz; Jason C. Cole (J. Chem. Inf. Model., 2012)

Assessing the Impact of Assemblers on Virus Detection in a De Novo Metagenomic Analysis Pipeline. - Daniel J. White; Jing Wang 056; Richard J. Hall (J. Comput. Biol., 2017)

Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns. - Carl Poelking; Gianni Chessari; Christopher W. Murray; Richard J. Hall; Lucy J. Colwell; Marcel L. Verdonk (CoRR, 2022)