"Comparison of enzyme polarization of ligands and charge-transfer effects ..."

Stephen P. Greatbanks et al. (2000)

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DOI: 10.1002/(SICI)1096-987X(20000715)21:9<788::AID-JCC7>3.0.CO;2-Q

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type: Journal Article

metadata version: 2020-04-01

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Stephen P. Greatbanks, Jill E. Gready, Ajay C. Limaye, Alistair P. Rendell:
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. Chem. 21(9): 788-811 (2000)

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