Published October 11, 2022
| Version v1.0
Dataset
Open
Dataset: Polystyrene and SARS-CoV-2 S protein MD simulations
Description
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 https://doi.org/10.1021/acs.jcim.2c00562 . Please cite this publication and the dataset in any use of the data.
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.
Files
soft-matter-theory-at-icmab-csic/Polystyrene_and_Spike_protein-v1.0.zip
Files
(37.4 MB)
| Name | Size | Download all |
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md5:5bef57d5e29e69d68c2b105f1cdc802d
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37.4 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Dataset: https://github.com/soft-matter-theory-at-icmab-csic/Polystyrene_and_Spike_protein/tree/v1.0 (URL)