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review article

Deep learning approaches for conformational flexibility and switching properties in protein design

Rudden, Lucas S. P.  
•
Hijazi, Mahdi  
•
Barth, Patrick  
August 10, 2022
Frontiers in Molecular Biosciences

Following the hugely successful application of deep learning methods to protein structure prediction, an increasing number of design methods seek to leverage generative models to design proteins with improved functionality over native proteins or novel structure and function. The inherent flexibility of proteins, from side-chain motion to larger conformational reshuffling, poses a challenge to design methods, where the ideal approach must consider both the spatial and temporal evolution of proteins in the context of their functional capacity. In this review, we highlight existing methods for protein design before discussing how methods at the forefront of deep learning-based design accommodate flexibility and where the field could evolve in the future.

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Type
review article
DOI
10.3389/fmolb.2022.928534
Author(s)
Rudden, Lucas S. P.  
Hijazi, Mahdi  
Barth, Patrick  
Date Issued

2022-08-10

Published in
Frontiers in Molecular Biosciences
Volume

9

Article Number

928534

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
UPBARTH  
Available on Infoscience
August 31, 2022
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/190456
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