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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...
Autores principales: | Sindhikara, Dan, Borrelli, Ken |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2018
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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 |
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