Can the semiempirical PM3 scheme describe iron-containing bioinorganic molecules? - Jonathan P. McNamara; Mahesh Sundararajan; Ian H. Hillier; Jun Ge; Andrew Campbell; Claudio Morgado (J. Comput. Chem., 2006)

Assessment of QM/MM Scoring Functions for Molecular Docking to HIV-1 Protease. - Pedro Fong; Jonathan P. McNamara; Ian H. Hillier; Richard A. Bryce (J. Chem. Inf. Model., 2009)