Selected simulation input and output for patchoulol synthase and germacradien-11-ol synthase



Files related to the biomolecular simulations in the following publication: Active site loop engineering abolishes water capture in hydroxylating sesquiterpene synthases Prabhakar L. Srivastava,[a] Sam T. Johns,[b] Rebecca Walters,[b] David J. Miller,[a] Rudolf K. Allemann*[a] and Marc W. Van der Kamp*[b] [a]School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, United Kingdom [b]School of Biochemistry, University of Bristol, University Walk, Bristol BS8 1TD, United Kingdom See the README.docx document for details.
Date made available20 Apr 2023

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