Solving protein structures using short-distance cross-linking constraints as a guide for discrete molecular dynamics simulations

We present an integrated experimental and computational approach for de novo protein structure determination in which short-distance cross-linking data are incorporated into rapid discrete molecular dynamics (DMD) simulations as constraints, reducing the conformational space and achieving the correc...

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Bibliografski detalji
Izdano u:Sci Adv
Glavni autori: Brodie, Nicholas I., Popov, Konstantin I., Petrotchenko, Evgeniy V., Dokholyan, Nikolay V., Borchers, Christoph H.
Format: Artigo
Jezik:Inglês
Izdano: American Association for the Advancement of Science 2017
Teme:
Research Articles
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5501500/
https://ncbi.nlm.nih.gov/pubmed/28695211
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1126/sciadv.1700479
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