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Docking flexible cyclic peptides with AutoDock CrankPep
While a new therapeutic cyclic peptide is approved nearly every year, docking large macrocycles has remained challenging. Here, we present a new version of our peptide docking software AutoDock CrankPep (ADCP), extended to dock peptides cyclized through their backbone and/or sidechain disulfide bond...
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| Veröffentlicht in: | J Chem Theory Comput |
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| Hauptverfasser: | , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2019
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7737999/ https://ncbi.nlm.nih.gov/pubmed/31505931 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00557 |
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