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ORCID"Producing DFT/MM enzyme reaction trajectories from SCC-DFTB/MM driving ..."
Ian L. Rogers, Kevin J. Naidoo (2017)
- Ian L. Rogers, Kevin J. Naidoo
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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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