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Important announcement: We are hosting the North of England Chemoinformatics Meeting (formerly the Sheffield Chemoinformatics Meeting) from the 21st to the 23rd of June 2027. Read more here.
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:
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