Selected simulation input and output for patchoulol synthase and germacradien-11-ol synthase
<p><em><strong>Files related to the biomolecular simulations in the following publication:</strong></em></p> <p><strong>Active site loop engineering abolishes water capture in hydroxylating sesquiterpene synthases</strong></p> <p>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></p> <p> </p> <p><sup>[a]</sup>School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, United Kingdom</p> <p><sup>[b]</sup>School of Biochemistry, University of Bristol, University Walk, Bristol BS8 1TD, United Kingdom</p> <p><br> See the README.docx document for details.</p>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 4
Topics
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