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Rosetta Machine Learning Models Accurately Classify Positional Effects of Thioamides on Proteolysis

Thioamide substitutions of the peptide backbone have been shown to stabilize therapeutic and imaging peptides toward proteolysis. In order to rationally design thioamide modifications, we have developed a novel Rosetta custom score function to classify thioamide positional effects on proteolysis in...

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Detalhes bibliográficos
Publicado no:J Phys Chem B
Main Authors: Giannakoulias, Sam, Shringari, Sumant, Liu, Chunxiao, Phan, Hoang Anh T., Barrett, Taylor M., Ferrie, John J., Petersson, E. James
Formato: Artigo
Idioma:Inglês
Publicado em: 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7759720/
https://ncbi.nlm.nih.gov/pubmed/32869996
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.0c05981
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