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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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Détails bibliographiques
Publié dans:J Chem Theory Comput
Auteurs principaux: Zhang, Yuqi, Sanner, Michel F.
Format: Artigo
Langue:Inglês
Publié: 2019
Sujets:
Accès en ligne: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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