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DeepCubist: Molecular Generator for Designing Peptidomimetics based on Complex three-dimensional scaffolds
Mimicking bioactive conformations of peptide segments involved in the formation of protein-protein interfaces with small molecules is thought to represent a promising strategy for the design of protein-protein interaction (PPI) inhibitors. For compound design, the use of three-dimensional (3D) scaff...
Autores principales: | Umedera, Kohei, Yoshimori, Atsushi, Chen, Hengwei, Kouji, Hiroyuki, Nakamura, Hiroyuki, Bajorath, Jürgen |
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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/PMC9876871/ https://www.ncbi.nlm.nih.gov/pubmed/36462089 http://dx.doi.org/10.1007/s10822-022-00493-y |
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