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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Veröffentlicht in:	Frontiers in molecular biosciences 2021-11, Vol.8, p.781635-781635, Article 781635
Hauptverfasser:	Tian, Hao, Jiang, Xi, Trozzi, Francesco, Xiao, Sian, Larson, Eric C., Tao, Peng
Format:	Artikel
Sprache:	eng
Schlagworte:	Biochemistry & Molecular Biology conformational space deep learning Life Sciences & Biomedicine Molecular Biosciences molecular dynamics protein system Science & Technology variational autoencoder
Online-Zugang:	Volltext
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