Authors:
Greatbanks, SP
Gready, JE
Limaye, AC
Rendell, AP
Citation: Sp. Greatbanks et al., Comparison of enzyme polarization of ligands and charge-transfer effects for dihydrofolate reductase using point-charge embedded ab initio quantum mechanical and linear-scaling semiempirical quantum mechanical methods, J COMPUT CH, 21(9), 2000, pp. 788-811
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:
Greatbanks, SP
Gready, JE
Limaye, AC
Rendell, AP
Citation: Sp. Greatbanks et al., Enzyme polarization of substrates of dihydrofolate reductase by different theoretical methods, PROTEINS, 37(2), 1999, pp. 157-165