Authors: Cummins, PL Gready, JE

Citation: Pl. Cummins et Je. Gready, Energetically most likely substrate and active-site protonation sites and pathways in the catalytic mechanism of dihydrofolate reductase, J AM CHEM S, 123(15), 2001, pp. 3418-3428

Authors: Cummins, PL Gready, JE

Citation: Pl. Cummins et Je. Gready, Combined quantum and molecular mechanics (QM/MM) study of the ionization state of 8-methylpterin substrate bound to dihydrofolate reductase, J PHYS CH B, 104(18), 2000, pp. 4503-4510

Authors: Titmuss, SJ Cummins, PL Bliznyuk, AA Rendell, AP Gready, JE

Citation: Sj. Titmuss et al., Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods applied to enzyme reactions, CHEM P LETT, 320(1-2), 2000, pp. 169-176

Authors: Cummins, PL Gready, JE

Citation: Pl. Cummins et Je. Gready, Coupled semiempirical quantum mechanics and molecular mechanics (QM/MM) calculations on the aqueous solvation free energies of ionized molecules, J COMPUT CH, 20(10), 1999, pp. 1028-1038