zenodoopen
Protein Structure Files and Galaxy Workflows for Conducting Molecular Dynamics Simulations of Flavivirus Helicases
<p>The files included here are a set of Galaxy workflows and starting structure files (PDB, mol2, and frcmod) for the simulation of flavivirus helicases in the apo and drug-bound state. The inhibitors include the 4th highest ranking compound from a virtual screening of more than 12.7 million drug-like molecules.</p>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 8
- Access
- 20
- Reuse readiness
- 8
- Engagement
- 0