Generating a conformational landscape of ubiquitin chains at atomistic resolution by back-mapping based sampling
Ubiquitin chains are flexible multidomain proteins that have important biological functions in cellular signalling. Computational studies with all-atom molecular dynamics simulations of the conformational spaces of polyubiquitins can be challenging due to the system size and a multitude of long-live...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
Frontiers Media S.A.
2023-01-01
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Series: | Frontiers in Chemistry |
Subjects: | |
Online Access: | https://www.frontiersin.org/articles/10.3389/fchem.2022.1087963/full |