Datensatz: Interaction Fingerprints for Molecular Dynamics Simulation of MC-LR and MC-LF with PPP1 - Libraries and Scripts
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Datum der Erstveröffentlichung
2023
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Published
Zusammenfassung
Contains libraries and jupyter notebooks to rerun the data of the following manuscript to analyse, aggregate and visualise interaction fingerprints of Molecular Dynamics Simulation data. 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. The data necessary to rerun the analysis are published under the following DOI: 10.5281/zenodo.10423389
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JAEGER-HONZ, Sabrina, Karsten KLEIN, Falk SCHREIBER, 2023. Interaction Fingerprints for Molecular Dynamics Simulation of MC-LR and MC-LF with PPP1 - Libraries and ScriptsBibTex
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</rdf:RDF>Kommentar zur Publikation
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