zenodoopen
Molecular Simulation of avb6 Integrin Inhibitors
<p>Molecular dynamics trajectories for the simulation of an RGD mimetic, with a variety of aryl substituents, bound to avb6. DCD and PSF files are provided for five replicas of 10 ns simulation for each ligand derivative. Trajectories for simulations of the pro-domain of TGF-B1 in complex with avb6 are also provided. </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