Machine Learning Generation of Dynamic Protein Conformational Ensembles

Machine Learning Generation of Dynamic Protein Conformational Ensembles

Machine learning has achieved remarkable success across a broad range of scientific and engineering disciplines, particularly its use for predicting native protein structures from sequence information alone. However, biomolecules are inherently dynamic, and there is a pressing need for accurate pred...

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Bibliographic Details
Main Authors:	Li-E Zheng, Shrishti Barethiya, Erik Nordquist, Jianhan Chen
Format:	Article
Language:	English
Published:	MDPI AG 2023-05-01
Series:	Molecules
Subjects:	autoencoder Boltzmann generator collective variable dimension reduction enhanced sampling generative adversarial network
Online Access:	https://www.mdpi.com/1420-3049/28/10/4047

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