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)

Inhibitors of PIM-1 Kinase: A Computational Analysis of the Binding Free Energies of a Range of Imidazo [1, 2-b] Pyridazines. - Slimane Doudou; Raman Sharma; Richard H. Henchman; David W. Sheppard; Neil A. Burton (J. Chem. Inf. Model., 2010)

A neural network potential based on pairwise resolved atomic forces and energies. - Jas Kalayan; Ismaeel Ramzan; Christopher D. Williams; Richard A. Bryce; Neil A. Burton (J. Comput. Chem., 2024)