zenodoopen
Trajectories of all MD simulations performed of Spike RBD/hACE2 complexes (WT, Delta, BA.1 to BA.4)
<p>Trajectories (.dcd) of the molecular dynamics simulations performed on Spike RBD / hACE2 complexes</p> <p>Protein structure files (.psf) prepared with Charmm36m topology / parameters</p> <p>For the WT (SARS-CoV-2 original strain), 6 additional replicas were uploaded, 3 including all glycans present on both spike and hACE2 et 3 replicas without glycan as control simulations.</p> <p> </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
- 16
- Reuse readiness
- 8
- Engagement
- 0
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