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
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Acceso en línea:https://doaj.org/article/6872db35558a4570a30068d14f5ed6e6
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Sumario: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.