Selected simulation input and output for patchoulol synthase and germacradien-11-ol synthase
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<em><strong>Files related to the biomolecular simulations in the following publication:</strong></em> <strong>Active site loop engineering abolishes water capture in hydroxylating sesquiterpene synthases</strong> Prabhakar L. Srivastava,<sup>[a]</sup> Sam T. Johns,<sup>[b]</sup> Rebecca Walters,<sup>[b]</sup> David J. Miller,<sup>[a]</sup> Rudolf K. Allemann*<sup>[a]</sup> and Marc W. Van der Kamp*<sup>[b]</sup> <sup>[a]</sup>School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, United Kingdom <sup>[b]</sup>School of Biochemistry, University of Bristol, University Walk, Bristol BS8 1TD, United Kingdom <br> See the README.docx document for details.
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2023-04-13
