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"Computational methods for the study of enzymic reaction mechanisms III: A ..."

Peter L. Cummins, Jill E. Gready (2005)

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DOI: 10.1002/JCC.20192

access: closed

type: Journal Article

metadata version: 2020-04-01

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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. J. Comput. Chem. 26(6): 561-568 (2005)

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