zenodoopen
3D full atom models of A501X variants of the penicillin-binding protein 2 with ceftriaxone
<p>The archives containPDB structures.</p> <p> <br>b3-b4-loop-representative-states.7z -- representative states obtained in MD trajectories of A501X variants of the PBP2</p> <p>The rest archves, A501X.7z contain representative frames from QM/MM MD trajectories in the stationary point regions (ES, TS1, I1, TS2, EP). Both QM part only and full-atom rectangular periodic systems are presented.</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