High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme

Mapping free energy landscapes of complex multi-funneled metamorphic proteins and weakly-funneled intrinsically disordered proteins (IDPs) remains challenging. Here authors present a parallel-tempering method that takes advantage of accelerated water dynamics for efficient and accurate conformationa...

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Autores principales:	Rajeswari Appadurai, Jayashree Nagesh, Anand Srivastava
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/8c2ce6b9cd554ba7a3e30226c18eb867
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spelling	oai:doaj.org-article:8c2ce6b9cd554ba7a3e30226c18eb8672021-12-02T14:26:44ZHigh resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme10.1038/s41467-021-21105-72041-1723https://doaj.org/article/8c2ce6b9cd554ba7a3e30226c18eb8672021-02-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-21105-7https://doaj.org/toc/2041-1723Mapping free energy landscapes of complex multi-funneled metamorphic proteins and weakly-funneled intrinsically disordered proteins (IDPs) remains challenging. Here authors present a parallel-tempering method that takes advantage of accelerated water dynamics for efficient and accurate conformational sampling across a wide variety of proteins.Rajeswari AppaduraiJayashree NageshAnand SrivastavaNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Rajeswari Appadurai Jayashree Nagesh Anand Srivastava High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme
description	Mapping free energy landscapes of complex multi-funneled metamorphic proteins and weakly-funneled intrinsically disordered proteins (IDPs) remains challenging. Here authors present a parallel-tempering method that takes advantage of accelerated water dynamics for efficient and accurate conformational sampling across a wide variety of proteins.
format	article
author	Rajeswari Appadurai Jayashree Nagesh Anand Srivastava
author_facet	Rajeswari Appadurai Jayashree Nagesh Anand Srivastava
author_sort	Rajeswari Appadurai
title	High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme
title_short	High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme
title_full	High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme
title_fullStr	High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme
title_full_unstemmed	High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme
title_sort	high resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/8c2ce6b9cd554ba7a3e30226c18eb867
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High resolution ensemble description of metamorphic and intrinsically disordered proteins using an efficient hybrid parallel tempering scheme

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