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Efficient 3D conformer generation of cyclic peptides formed by a disulfide bond

Cyclic peptides formed by disulfide bonds have been one large group of common drug candidates in drug development. Structural information of a peptide is essential to understand its interaction with its target. However, due to the high flexibility of peptides, it is difficult to sample the near-nati...

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Detalles Bibliográficos
Autores principales: Tao, Huanyu, Wu, Qilong, Zhao, Xuejun, Lin, Peicong, Huang, Sheng-You
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9066754/
https://www.ncbi.nlm.nih.gov/pubmed/35505401
http://dx.doi.org/10.1186/s13321-022-00605-8

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