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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Bibliographic Details
Main Authors: Hao Tian, Xi Jiang, Francesco Trozzi, Sian Xiao, Eric C. Larson, Peng Tao
Format: article
Language:EN
Published: Frontiers Media S.A. 2021
Subjects:
Online Access:https://doaj.org/article/0dd63e9213564b10acf17ca8968be3b0
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