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Scaffold Matcher: A CMA-ES based algorithm for identifying hotspot aligned peptidomimetic scaffolds (datasets) - MaRDI portal

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Scaffold Matcher: A CMA-ES based algorithm for identifying hotspot aligned peptidomimetic scaffolds (datasets)

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DOI10.5281/zenodo.8422476Zenodo8422476MaRDI QIDQ6678943

Dataset published at Zenodo repository.

Author name not available (Why is that?)

Publication date: 9 October 2023

Copyright license: No records found.



Description

Datafiles used to reproduce the results in the Scaffold Matcher: A CMA-ES based algorithm for identifying hotspot aligned peptidomimetic scaffolds publication. Contains input files as well as files generated by the algorithm. Details can be found in the manuscript. SARSCoV19_mProFiles.zip : PDB formatted inputs and top model for SARS-CoV2 mPro. ScaffoldMatcherBenchmarkFiles_20230410.zip : PDB formatted benchmark inputs and top models.






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