Interaction Fingerprints for Molecular Dynamics Simulation of MC-LR and MC-LF with PPP1 - Data
<p>This data sets contains all data to reproduce the conclusions of the following manuscript to analyse, aggregate and visualise interaction fingerprints of Molecular Dynamics Simulation data. </p> <p>S. Jaeger-Honz, K. Klein, F. Schreiber: Systematic Analysis, Aggregation and Visualisation of Interaction Fingerprints for Molecular Dynamics Simulation Data, Journal of Cheminformatics 16 (28), 2024, https://doi.org/10.1186/s13321-024-00822-3.</p> <p>The scripts and libraries necessary to rerun the analysis are published under the following DOI: 10.5281/zenodo.10424417</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
Dataset details
- Repository
- zenodo
- Published
- December 21, 2023
- License
- cc-by-4.0
- DOI
- 10.5281/zenodo.10423388
Scored with release 0.9.0
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