Scaffold Matcher: A CMA-ES based algorithm for identifying hotspot aligned peptidomimetic scaffolds (datasets) (Q9834)
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Dataset published at Zenodo repository.
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Scaffold Matcher: A CMA-ES based algorithm for identifying hotspot aligned peptidomimetic scaffolds (datasets) |
Dataset published at Zenodo repository. |
Statements
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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9 October 2023
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