Assessment of Binding Affinity via Alchemical Free Energy Calculations Publication | J. Chem. Inf. Model | 2020
Electrostatic Complementarity as a Fast and Effective Tool to Optimize Binding and Selectivity of Protein–Ligand Complexes Publication | J. Med. Chem. | 2019
Accurate Protein Electrostatics Add a New Dimension to Structure-based Design Publication | International Pharmaceutical Industry (pages 38-43) | 2017 Tim Cheeseright, Katriona Scoffin pdf
Lessons and Successes in the Use of Molecular Fields Publication | Comprehensive Medicinal Chemistry III | 2017 P Tosco, M Mackey
Using computational methods to elucidate protein-ligand interactions Publication | PharmaChem | 2017 Katriona Scoffin
Chemical Reaction Publication | Innovations in Pharmaceutical Technology | 2016 Giovanna Tedesco, Katriona Scoffin pdf
Flavours, Fragrances and Force fields Publication | Chemistry in Australia, pages 14-17 | 2016 Martin Slater, Katriona Scoffin pdf
Where are the gaps in your data? Publication | International Pharmaceutical Industry | 2016 Giovanna Tedesco, Katriona Scoffin pdf
Optimizing compound selectivity through multi-dimensional activity cliff analysis Publication | PharmaChem | 2015 Tim Cheeseright, Mark Mackey
Sky’s the Limit Publication | Innovations in Pharmaceutical Technology | 2015 Tim Cheeseright, Katriona Scoffin