Conformational ensemble of native α-synuclein in solution as determined by short-distance crosslinking constraint-guided discrete molecular dynamics simulations

Combining structural proteomics experimental data with computational methods is a powerful tool for protein structure prediction. Here, we apply a recently-developed approach for de novo protein structure determination based on the incorporation of short-distance crosslinking data as constraints in...

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Bibliographic Details
Published in:PLoS Comput Biol
Main Authors: Brodie, Nicholas I., Popov, Konstantin I., Petrotchenko, Evgeniy V., Dokholyan, Nikolay V., Borchers, Christoph H.
Format: Artigo
Language:Inglês
Published: Public Library of Science 2019
Subjects:
Research Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC6453469/
https://ncbi.nlm.nih.gov/pubmed/30917118
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1006859
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