zenodoopen
Thiourea and urea in water drops and in the active site of TcDH
<p>Thiourea and urea in water drops and in the active site of TcDH.</p> <p>Equilibrium geometry configurations obtained at the QM(PBE0/6-31G**)/MM(AMBER) level of theory.</p> <p>Coordinates of QM subsystems have "qm" in names of PDB files.</p>
ShareScore
36/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 20
- Reuse readiness
- 8
- Engagement
- 0