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https://github.com/kull-centre/_2023_thomasen_martini

https://github.com/kull-centre/_2023_thomasen_martini

Science Score: 44.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ○
    .zenodo.json file
  • ✓
    DOI references
    Found 6 DOI reference(s) in README
  • ✓
    Academic publication links
    Links to: zenodo.org
  • ○
    Academic email domains
  • ✓
    Institutional organization owner
    Organization kull-centre has institutional domain (www1.bio.ku.dk)
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (2.7%) to scientific vocabulary
Last synced: 4 months ago · JSON representation

Repository

Basic Info
  • Host: GitHub
  • Owner: KULL-Centre
  • License: gpl-3.0
  • Language: Jupyter Notebook
  • Default Branch: main
  • Size: 375 MB
Statistics
  • Stars: 4
  • Watchers: 1
  • Forks: 1
  • Open Issues: 4
  • Releases: 1
Created almost 3 years ago · Last pushed about 1 year ago
Metadata Files
Readme License

README.md

Supporting scripts and data for Rescaling protein-protein interactions improves Martini 3 for flexible proteins in solution

F. Emil Thomasen, Trur Skaalum, Ashutosh Kumar, Sriraksha Srinivasan, Stefano Vanni, Kresten Lindorff-Larsen

The preprint is available at: https://doi.org/10.1101/2023.05.29.542689

Simulation data and starting structures for most simulations from the paper are available at: https://doi.org/10.5281/zenodo.8010043
Simulation data for protein-membrane simulations are available at: https://zenodo.org/record/8154919
Simulation data for IDP self-association simulations, single-chain simulations of OPN and htau40, and side chain analogue simulations are available at: https://doi.org/10.17894/ucph.80cbd22e-bb35-46ac-b14c-95ea92899608

Force field files for Martini 3.0 with interactions between protein beads rescaled by PP=0.88 or interactions between protein-water beads rescaled by PW=1.10 are available at: https://github.com/KULL-Centre/2023ThomasenMartini/tree/main/forcefield

Owner

  • Name: Linderstrøm-Lang Centre for Protein Science, University of Copenhagen
  • Login: KULL-Centre
  • Kind: organization
  • Location: Copenhagen, Denmark

GitHub Events

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  • Watch event: 2
  • Issue comment event: 1
  • Push event: 14
Last Year
  • Watch event: 2
  • Issue comment event: 1
  • Push event: 14