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

Research datakeyboard_double_arrow_right Dataset 20 Apr 2023 English Publisher:ZenodoFunded by:UKRI | Multi-scale enzyme modell..., UKRI | Engineering Water Capture...

Authors: Van Der Kamp, Marc; Johns, Sam; Walters, Rebecca;

doi: 10.5281/zenodo.7824978 , 10.5281/zenodo.7824977

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

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Abstract

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.

Related Organizations

University of Bristol
United Kingdom

Keywords

enzyme, terpene synthases, molecular dynamics

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