Published April 20, 2023 | Version v1
Dataset Open

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

Authors/Creators

  • 1. University of Bristol

Description

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.

Files

gd11olS.zip

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Additional details

Funding

UK Research and Innovation
Multi-scale enzyme modelling for SynBio: optimizing biocatalysts for selective synthesis of bioactive compounds BB/M026280/1
UK Research and Innovation
Engineering Water Capture in Terpene Synthases BB/R001332/1