Peter L. Cummins

	2005
8		Peter L. Cummins, Jill E. Gready: Computational methods for the study of enzymic reaction mechanisms III: A perturbation plus QM/MM approach for calculating relative free energies of protonation. Journal of Computational Chemistry 26(6): 561-568 (2005)
	2002
7		Stephen J. Titmuss, Peter L. Cummins, Alistair P. Rendell, Andrey A. Bliznyuk, Jill E. Gready: Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis. Journal of Computational Chemistry 23(14): 1314-1322 (2002)
	1999
6		Peter L. Cummins, Jill E. Gready: Coupled semiempirical quantum mechanics and molecular mechanics (QM/MM) calculations on the aqueous solvation free energies of ionized molecules. Journal of Computational Chemistry 20(10): 1028-1038 (1999)
	1998
5		Peter L. Cummins, Jill E. Gready: Molecular dynamics and free energy perturbation study of hydride-ion transfer step in dihydrofolate reductase using combined quantum and molecular mechanical model. Journal of Computational Chemistry 19(8): 977-988 (1998)
	1997
4		Peter L. Cummins, Jill E. Gready: Coupled semiempirical molecular orbital and molecular mechanics model (QM/MM) for organic molecules in aqueous solution. Journal of Computational Chemistry 18(12): 1496-1512 (1997)
	1996
3		Peter L. Cummins, Jill E. Gready: Solvent effects in active-site molecular dynamics simulations on the binding of 8-methyl-N5-deazapterin and 8-methylpterin to dihydrofolate reductase. Journal of Computational Chemistry 17(14): 1598-1611 (1996)
	1994
2		Peter L. Cummins, Jill E. Gready: Thermodynamic Integration Calculations on the Relative Free Energies of Complex Ions in Aqueous Solution: Application to Ligands of Dihydrofolate Reductace. Journal of Computational Chemistry 15(7): 704-718 (1994)
	1993
1		Peter L. Cummins, Jill E. Gready: Computer-aided drug design: A free energy perturbation study on the binding of methyl-substituted pterins and N5-deazapterins to dihydrofolate reductase. Journal of Computer-Aided Molecular Design 7(5): 535-555 (1993)

Coauthor Index

1	Andrey A. Bliznyuk	[7]
2	Jill E. Gready	[1] [2] [3] [4] [5] [6] [7] [8]
3	Alistair P. Rendell	[7]
4	Stephen J. Titmuss	[7]

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