Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations

Protein conformational changes are key to a wide range of cellular functions but remain difficult to access experimentally. Here the authors describe eBDIMS, a novel approach to predict intermediates observed in structural transition pathways from experimental ensembles.

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Autores principales:	Laura Orellana, Ozge Yoluk, Oliver Carrillo, Modesto Orozco, Erik Lindahl
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2016
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/3d956455fb5a419a9e27ee1d23712f42
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spelling	oai:doaj.org-article:3d956455fb5a419a9e27ee1d23712f422021-12-02T16:58:00ZPrediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations10.1038/ncomms125752041-1723https://doaj.org/article/3d956455fb5a419a9e27ee1d23712f422016-08-01T00:00:00Zhttps://doi.org/10.1038/ncomms12575https://doaj.org/toc/2041-1723Protein conformational changes are key to a wide range of cellular functions but remain difficult to access experimentally. Here the authors describe eBDIMS, a novel approach to predict intermediates observed in structural transition pathways from experimental ensembles.Laura OrellanaOzge YolukOliver CarrilloModesto OrozcoErik LindahlNature PortfolioarticleScienceQENNature Communications, Vol 7, Iss 1, Pp 1-14 (2016)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Laura Orellana Ozge Yoluk Oliver Carrillo Modesto Orozco Erik Lindahl Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
description	Protein conformational changes are key to a wide range of cellular functions but remain difficult to access experimentally. Here the authors describe eBDIMS, a novel approach to predict intermediates observed in structural transition pathways from experimental ensembles.
format	article
author	Laura Orellana Ozge Yoluk Oliver Carrillo Modesto Orozco Erik Lindahl
author_facet	Laura Orellana Ozge Yoluk Oliver Carrillo Modesto Orozco Erik Lindahl
author_sort	Laura Orellana
title	Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
title_short	Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
title_full	Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
title_fullStr	Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
title_full_unstemmed	Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
title_sort	prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
publisher	Nature Portfolio
publishDate	2016
url	https://doaj.org/article/3d956455fb5a419a9e27ee1d23712f42
work_keys_str_mv	AT lauraorellana predictionandvalidationofproteinintermediatestatesfromstructurallyrichensemblesandcoarsegrainedsimulations AT ozgeyoluk predictionandvalidationofproteinintermediatestatesfromstructurallyrichensemblesandcoarsegrainedsimulations AT olivercarrillo predictionandvalidationofproteinintermediatestatesfromstructurallyrichensemblesandcoarsegrainedsimulations AT modestoorozco predictionandvalidationofproteinintermediatestatesfromstructurallyrichensemblesandcoarsegrainedsimulations AT eriklindahl predictionandvalidationofproteinintermediatestatesfromstructurallyrichensemblesandcoarsegrainedsimulations
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Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations

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