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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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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Sindhikara, Dan, Borrelli, Ken
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5920116/
https://ncbi.nlm.nih.gov/pubmed/29700331
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-24766-5
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