https://github.com/kull-centre/_2023_oxenfarth_cuug
Science Score: 8.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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○codemeta.json file
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○.zenodo.json file
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○DOI references
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○Academic publication links
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○Academic email domains
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✓Institutional organization owner
Organization kull-centre has institutional domain (www1.bio.ku.dk) -
○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (3.3%) to scientific vocabulary
Last synced: 4 months ago
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Repository
Basic Info
- Host: GitHub
- Owner: KULL-Centre
- Language: Jupyter Notebook
- Default Branch: main
- Size: 58.1 MB
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- Stars: 0
- Watchers: 1
- Forks: 1
- Open Issues: 0
- Releases: 0
Created about 3 years ago
· Last pushed about 3 years ago
https://github.com/KULL-Centre/_2023_oxenfarth_CUUG/blob/main/
# Scripts and data for ref ```md_setup/``` contains scripts and files to build the starting structures, as well as everything that's needed to set up the simulations. ```analysis/``` contains scripts and notebooks to calculate the NMR observables from the NMR bundles and the simulations, and to cluster the new ensemble. It also contains a notebook to recreate all plots based on simulation data in the manuscript. The final structure ensemble, based on the simulations and experimental data, is located under ```analysis/md_plus_exp_subsampled.pdb```.
Owner
- Name: Linderstrøm-Lang Centre for Protein Science, University of Copenhagen
- Login: KULL-Centre
- Kind: organization
- Location: Copenhagen, Denmark
- Website: https://www1.bio.ku.dk/english/research/bms/research/llc/
- Repositories: 8
- Profile: https://github.com/KULL-Centre