Published December 8, 2025
| Version 0.9.0
Dataset
Open
Conformations of cycopentane, cyclohexane, and benzene rings in ligands in the PDB
- 1. CEITEC Masarykova univerzita
Description
This dataset, which serves as an appendix to the article, contains an overview of the number of individual occurences of three most common rings in the Protein Data bank (PDB) database. The results can be reproduces using the linked workflow when ran on our linked public dataset.
Files
Conformations_occurrence.pdf
Files
(115.0 kB)
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Additional details
Related works
- Is derived from
- Dataset: 10.58074/hy79-qc22 (DOI)
- Is supplement to
- Journal article: 10.1101/2024.06.20.598822 (DOI)
Subjects
- Computer science
- http://id.loc.gov/authorities/subjects/sh85008177