Journal article

Producing DFT/MM enzyme reaction trajectories from SCC-DFTB/MM driving forces to probe the underlying electronics of a glycosyltransferase reaction

Research Areas

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Publication Details

Author list: Rogers I, Naidoo K

Publisher: Wiley: 12 months

Publication year: 2017

Journal: Journal of Computational Chemistry

Journal name: Journal of Computational Chemistry

Volume number: 38

Issue number: 20

Start page: 1789

End page: 1798

Total number of pages: 10

ISSN: 0192-8651

eISSN: 1096-987X



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Density functional theory

Last updated on 2018-17-04 at 11:15