Published October 9, 2023
| Version v1
Dataset
Open
Scaffold Matcher: A CMA-ES based algorithm for identifying hotspot aligned peptidomimetic scaffolds (datasets)
Authors/Creators
- 1. Department of Biological Sciences, University of Illinois at Chicago, Chicago, Il, 60607, USA
- 2. Center for Computational Biology, Flatiron Institute, New York, NY, 10010, USA
- 3. Ludwig-Maximilians-Universität München, Helmholtz Munich, München, Center for Computational Mathematics, Flatiron Institute, New York
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.
Files
SARSCoV19_mProFiles.zip
Files
(31.6 MB)
| Name | Size | Download all |
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md5:0df3249cbf02d005197a6a7e5e69ad7c
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201.6 kB | Preview Download |
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md5:83bd8afda98c9f1a5fad03c2483d08bd
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31.4 MB | Preview Download |