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...

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Detalles Bibliográficos
Autores principales: Xu, Mingyuan, Huang, Weifeng, Xu, Min, Lei, Jinping, Chen, Hongming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9823299/
https://www.ncbi.nlm.nih.gov/pubmed/36615515
http://dx.doi.org/10.3390/molecules28010321

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