Dataset: Polystyrene and SARS-CoV-2 S protein MD simulations
<p>Coordinates (input files and equilibrated structures) corresponding to the MD simulations reported in Sahihi and Faraudo, J. Chem. Inf. Model. 2022, 62, 16, 3814–3824 <a href="https://doi.org/10.1021/acs.jcim.2c00562">https://doi.org/10.1021/acs.jcim.2c00562</a> . Please cite this publication and the dataset in any use of the data.</p> <p>The coordinate files in pdb format include fully glycosylated structures of the S1 subunit of SARS-CoV-2 spike protein (up and down confirmations) and a polystyrene slab.</p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 12
- Reuse readiness
- 0
- Engagement
- 12
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