Creating 2 Billion virtual compounds - new paper with the Harran group
- Dennis Svatunek
- Sep 18, 2020
- 1 min read
Together with the Harran group (UCLA) we worked on a computational workflow to create a gigalibrary of composite peptidic macrocycles which is out now in PNAS.
This workflow features CPMG the "Composite Peptide Macrocycle Generator" (Code available on GitHub) and ConfBuster++, an RDKit implementation of ConfBuster (Code on GitHub).
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