https://github.com/kull-centre/_2023_pesce_hst5
Science Score: 21.0%
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Found 2 DOI reference(s) in README -
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Organization kull-centre has institutional domain (www1.bio.ku.dk) -
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Low similarity (4.2%) 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: 1.5 GB
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- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 0
Created almost 3 years ago
· Last pushed almost 2 years ago
https://github.com/KULL-Centre/_2023_Pesce_Hst5/blob/main/
### Data and scripts for Pesce and Lindorff-Larsen 2023 ## Requirements and data: - BME reweighting requires https://github.com/KULL-Centre/BME - Block analysis requires https://github.com/fpesceKU/BLOCKING - Simulations and PBMetaD data are available at https://doi.org/10.17894/UCPH.4D0D9A09-B40B-4A3A-93EF-D6C249F49A90 ## List of content: - **HST5_MD_analysis.ipynb**: notebook used to analyze simulations and produce the figures for the paper. - **CV/**: folder containing collective variables and PBMetaD bias calculated from simulations. - **PLUMED/**: plumed input files used to activate PBMetaD and calculate the bias. - **SAXS_exp/***: experimental SAXS profiles with errors corrected via the BIFT approach. - **iBME/***: results and stats from reweighting simulations against SAXS. *Run unpack.sh to decompress folder content!
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