This dataset contains a README file describing how the data can be used. It describes the following procedures: 1. Input preparation and associated files for ROSETTA 2. Docking protocol and bash files 3. Energy-based clustering of results 4. Interface analyses 5. Candidate Selection for MD simulation
PASPALI, E. (Author), Mulheran, P. (Supervisor) & Ferro, V. (Supervisor), 8 Oct 2024
Student thesis: Doctoral Thesis
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PASPALI, E. (Creator), Mulheran, P. (Creator), Kubiak-Ossowska, K. (Creator) (20 Jan 2026). Data for "Computational modelling reveals novel insights into GnRH receptor activation and binding dynamics". University of Strathclyde. GnRH1R-main(.zip). 10.15129/c0e4e7d1-c0c6-4b67-88b2-9ed253147dc4