Items where Author is "St-Gallay, SA"
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Lukac, I, Abdelhakim, H, Ward, RA, St-Gallay, SA, Madden, JC and Leach, AG (2019) Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A. Chemical Science, 10 (7). pp. 2218-2227. ISSN 2041-6520
Lukac, I, Zarnecka, J, Griffen, EJ, Dossetter, AG, St-Gallay, SA, Enoch, SJ, Madden, JC and Leach, AG (2017) Turbocharging Matched Molecular Pair Analysis: Optimizing the Identification and Analysis of Pairs. Journal of Chemical Information Modeling. ISSN 1549-9596