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"Producing DFT/MM enzyme reaction trajectories from SCC-DFTB/MM driving ..."

Ian L. Rogers, Kevin J. Naidoo (2017)

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DOI: 10.1002/JCC.24820

access: closed

type: Journal Article

metadata version: 2020-04-01

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Ian L. Rogers, Kevin J. Naidoo:
Producing DFT/MM enzyme reaction trajectories from SCC-DFTB/MM driving forces to probe the underlying electronics of a glycosyltransferase reaction. J. Comput. Chem. 38(20): 1789-1798 (2017)

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