Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs. - Iva Lukac; Joanna M. Zarnecka; Edward J. Griffen; Alexander G. Dossetter; Stephen A. St-Gallay; Steven J. Enoch; Judith C. Madden; Andrew G. Leach (J. Chem. Inf. Model., 2017)

Ligand binding: evaluating the contribution of the water molecules network using the Fragment Molecular Orbital method. - Iva Lukac; Paul G. Wyatt; Ian H. Gilbert; Fabio Zuccotto (J. Comput. Aided Mol. Des., 2021)

Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins. - Joanna M. Zarnecka; Iva Lukac; Stephen J. Messham; Alhusein Hussin; Francesco Coppola; Steven J. Enoch; Alexander G. Dossetter; Edward J. Griffen; Andrew G. Leach (J. Chem. Inf. Model., 2021)