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High throughput evaluation of macrocyclization strategies for conformer stabilization

While macrocyclization of a linear compound to stabilize a known bioactive conformation can be a useful strategy to increase binding potency, the difficulty of macrocycle synthesis can limit the throughput of such strategies. Thus computational techniques may offer the higher throughput required to...

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Detalles Bibliográficos
Autores principales: Sindhikara, Dan, Borrelli, Ken
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5920116/
https://www.ncbi.nlm.nih.gov/pubmed/29700331
http://dx.doi.org/10.1038/s41598-018-24766-5