In the Andrew Leach group we work to develop and apply computational methods that: help improve drug discovery, enable design of better corrosion inhibitors and deepen our understanding of chemical reactions. We are based in the Division of Pharmacy and Optometry/School of Health Sciences/FBMH at the University of Manchester.
Highlighted publications:
Design and synthesis of a chemically diverse, lead-like DNA-encoded library from sequential amide coupling, C. E. Taylor; G. Roper; R. Young; F. Svensson; A. Brunschweiger; S. Butterworth; A. G. Leach; M. J. Waring, RSC Med. Chem, 2025, 16, 4774-4780. DOI: 10.1039/d5md00350d
The Boroxine–Boronic Acid Equilibrium, C. Li; L. Sotorrios; P. Boaler; V. Olikauskas; M. Amico; A. García-Domínguez; A. G. Leach; G. C. Lloyd-Jones, J. Am. Chem. Soc., 2025, 147, 38237-38253. DOI: 10.1021/jacs.5c10835
Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A, I. Lukac; H. Abdelhakim; R. A. Ward; S. A. St-Gallay; J. C. Madden; A. G. Leach, Chem. Sci., 2019, 10, 2218-2227. DOI: 10.1039/C8SC04564J
Full list of publications: