Accurate de novo design of membrane-traversing macrocycles

We use computational design coupled with experimental characterization to systematically investigate the design principles for macrocycle membrane permeability and oral bioavailability. We designed 184 6–12 residue macrocycles with a wide range of predicted structures containing noncanonical backbon...

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Detalles Bibliográficos
Autores principales: Bhardwaj, Gaurav, O’Connor, Jacob, Rettie, Stephen, Huang, Yen-Hua, Ramelot, Theresa A., Mulligan, Vikram Khipple, Alpkilic, Gizem Gokce, Palmer, Jonathan, Bera, Asim K., Bick, Matthew J., Di Piazza, Maddalena, Li, Xinting, Hosseinzadeh, Parisa, Craven, Timothy W., Tejero, Roberto, Lauko, Anna, Choi, Ryan, Glynn, Calina, Dong, Linlin, Griffin, Robert, van Voorhis, Wesley C., Rodriguez, Jose, Stewart, Lance, Montelione, Gaetano T., Craik, David, Baker, David
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cell Press 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9490236/
https://www.ncbi.nlm.nih.gov/pubmed/36041435
http://dx.doi.org/10.1016/j.cell.2022.07.019

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