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

Greatbanks, S; Gready, Jill; Limaye, Ajay; Rendell, Alistair

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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

Date

2000

Authors

Greatbanks, S

Gready, Jill

Limaye, Ajay

Rendell, Alistair

Publisher

John Wiley & Sons Inc

URI

http://hdl.handle.net/1885/89222

Collections

ANU Research Publications

Source

Journal of Computational Chemistry

Type

Journal article

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Cultural advice

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

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