Explore Protein Conformational Space With Variational Autoencoder

Molecular dynamics (MD) simulations have been actively used in the study of protein structure and function. However, extensive sampling in the protein conformational space requires large computational resources and takes a prohibitive amount of time. In this study, we demonstrated that variational a...

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Autores principales: Hao Tian, Xi Jiang, Francesco Trozzi, Sian Xiao, Eric C. Larson, Peng Tao
Formato: article
Lenguaje:EN
Publicado: Frontiers Media S.A. 2021
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Acceso en línea:https://doaj.org/article/0dd63e9213564b10acf17ca8968be3b0
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