Molecular Simulation of αvβ6 Integrin Inhibitors. - Ellen E. Guest; Steven A. Oatley; Simon J. F. Macdonald; Jonathan D. Hirst (J. Chem. Inf. Model., 2020)

Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4. - Ellen E. Guest; Luis F. Cervantes; Stephen D. Pickett; Charles L. Brooks III; Jonathan D. Hirst (J. Chem. Inf. Model., 2022)