Automated and optimally FRET-assisted structural modeling

To overcome the limitation of FRET data being too sparse to cover all structural details, FRET experiments need to be carefully designed and complemented with simulations. Here the authors present a toolkit for automated design of FRET experiments, which determines how many and which FRET pairs shou...

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Autores principales:	Mykola Dimura, Thomas-Otavio Peulen, Hugo Sanabria, Dmitro Rodnin, Katherina Hemmen, Christian A. Hanke, Claus A. M. Seidel, Holger Gohlke
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/6872db35558a4570a30068d14f5ed6e6
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spelling	oai:doaj.org-article:6872db35558a4570a30068d14f5ed6e62021-12-02T17:32:41ZAutomated and optimally FRET-assisted structural modeling10.1038/s41467-020-19023-12041-1723https://doaj.org/article/6872db35558a4570a30068d14f5ed6e62020-10-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-19023-1https://doaj.org/toc/2041-1723To overcome the limitation of FRET data being too sparse to cover all structural details, FRET experiments need to be carefully designed and complemented with simulations. Here the authors present a toolkit for automated design of FRET experiments, which determines how many and which FRET pairs should be used to maximize the accuracy, and for FRET-assisted structural modeling and refinement at the atomistic level.Mykola DimuraThomas-Otavio PeulenHugo SanabriaDmitro RodninKatherina HemmenChristian A. HankeClaus A. M. SeidelHolger GohlkeNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-14 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Mykola Dimura Thomas-Otavio Peulen Hugo Sanabria Dmitro Rodnin Katherina Hemmen Christian A. Hanke Claus A. M. Seidel Holger Gohlke Automated and optimally FRET-assisted structural modeling
description	To overcome the limitation of FRET data being too sparse to cover all structural details, FRET experiments need to be carefully designed and complemented with simulations. Here the authors present a toolkit for automated design of FRET experiments, which determines how many and which FRET pairs should be used to maximize the accuracy, and for FRET-assisted structural modeling and refinement at the atomistic level.
format	article
author	Mykola Dimura Thomas-Otavio Peulen Hugo Sanabria Dmitro Rodnin Katherina Hemmen Christian A. Hanke Claus A. M. Seidel Holger Gohlke
author_facet	Mykola Dimura Thomas-Otavio Peulen Hugo Sanabria Dmitro Rodnin Katherina Hemmen Christian A. Hanke Claus A. M. Seidel Holger Gohlke
author_sort	Mykola Dimura
title	Automated and optimally FRET-assisted structural modeling
title_short	Automated and optimally FRET-assisted structural modeling
title_full	Automated and optimally FRET-assisted structural modeling
title_fullStr	Automated and optimally FRET-assisted structural modeling
title_full_unstemmed	Automated and optimally FRET-assisted structural modeling
title_sort	automated and optimally fret-assisted structural modeling
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/6872db35558a4570a30068d14f5ed6e6
work_keys_str_mv	AT mykoladimura automatedandoptimallyfretassistedstructuralmodeling AT thomasotaviopeulen automatedandoptimallyfretassistedstructuralmodeling AT hugosanabria automatedandoptimallyfretassistedstructuralmodeling AT dmitrorodnin automatedandoptimallyfretassistedstructuralmodeling AT katherinahemmen automatedandoptimallyfretassistedstructuralmodeling AT christianahanke automatedandoptimallyfretassistedstructuralmodeling AT clausamseidel automatedandoptimallyfretassistedstructuralmodeling AT holgergohlke automatedandoptimallyfretassistedstructuralmodeling
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Automated and optimally FRET-assisted structural modeling

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