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Chiral discrimination of cyclodecapeptide to anti-COVID-19 clinical candidates: a theoretical study

Various undesirable side effects are frequently associated with isomers of chiral clinical agents. The separation of chiral medicines remains a challenging issue in the medicines research. In this work, we employed cyclic decapeptide as the host molecule and the M06-2X theoretical computational meth...

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Detalles Bibliográficos
Autores principales: Yang, Jian, Wang, Xinqing, Ji, Shuangshuang, Zhu, Yanyan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10011793/
https://www.ncbi.nlm.nih.gov/pubmed/37363041
http://dx.doi.org/10.1007/s11224-023-02149-5