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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Auteurs principaux: Hao Tian, Xi Jiang, Francesco Trozzi, Sian Xiao, Eric C. Larson, Peng Tao
Format: article
Langue:EN
Publié: Frontiers Media S.A. 2021
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Accès en ligne:https://doaj.org/article/0dd63e9213564b10acf17ca8968be3b0
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