Computational design of environmental sensors for the potent opioid fentanyl

We describe the computational design of proteins that bind the potent analgesic fentanyl. Our approach employs a fast docking algorithm to find shape complementary ligand placement in protein scaffolds, followed by design of the surrounding residues to optimize binding affinity. Co-crystal structure...

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Detalles Bibliográficos
Autores principales: Bick, Matthew J, Greisen, Per J, Morey, Kevin J, Antunes, Mauricio S, La, David, Sankaran, Banumathi, Reymond, Luc, Johnsson, Kai, Medford, June I, Baker, David
Formato: Online Artículo Texto
Lenguaje:English
Publicado: eLife Sciences Publications, Ltd 2017
Materias:
Biochemistry and Chemical Biology
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5655540/
https://www.ncbi.nlm.nih.gov/pubmed/28925919
http://dx.doi.org/10.7554/eLife.28909

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5655540/
https://www.ncbi.nlm.nih.gov/pubmed/28925919
http://dx.doi.org/10.7554/eLife.28909

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