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3D Conformational Generative Models for Biological Structures Using Graph Information-Embedded Relative Coordinates
Developing molecular generative models for directly generating 3D conformation has recently become a hot research area. Here, an autoencoder based generative model was proposed for molecular conformation generation. A unique feature of our method is that the graph information embedded relative coord...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9823299/ https://www.ncbi.nlm.nih.gov/pubmed/36615515 http://dx.doi.org/10.3390/molecules28010321 |