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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...
Autores principales: | Tao, Huanyu, Wu, Qilong, Zhao, Xuejun, Lin, Peicong, Huang, Sheng-You |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2022
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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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