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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Detalles Bibliográficos
Autores principales: Brodie, Nicholas I., Popov, Konstantin I., Petrotchenko, Evgeniy V., Dokholyan, Nikolay V., Borchers, Christoph H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2017
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5501500/
https://www.ncbi.nlm.nih.gov/pubmed/28695211
http://dx.doi.org/10.1126/sciadv.1700479

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5501500/
https://www.ncbi.nlm.nih.gov/pubmed/28695211
http://dx.doi.org/10.1126/sciadv.1700479

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