Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets

Comparing and contrasting structural ensembles of different protein variants helps connect specific structural features to a protein’s biochemical properties. Here, the authors propose DiffNets, a self-supervised, deep learning method that streamlines this process.

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Autores principales:	Michael D. Ward, Maxwell I. Zimmerman, Artur Meller, Moses Chung, S. J. Swamidass, Gregory R. Bowman
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/13c6be6650f24dc28b6a7660d1256cac
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spelling	oai:doaj.org-article:13c6be6650f24dc28b6a7660d1256cac2021-12-02T14:58:51ZDeep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets10.1038/s41467-021-23246-12041-1723https://doaj.org/article/13c6be6650f24dc28b6a7660d1256cac2021-05-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-23246-1https://doaj.org/toc/2041-1723Comparing and contrasting structural ensembles of different protein variants helps connect specific structural features to a protein’s biochemical properties. Here, the authors propose DiffNets, a self-supervised, deep learning method that streamlines this process.Michael D. WardMaxwell I. ZimmermanArtur MellerMoses ChungS. J. SwamidassGregory R. BowmanNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-12 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Michael D. Ward Maxwell I. Zimmerman Artur Meller Moses Chung S. J. Swamidass Gregory R. Bowman Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets
description	Comparing and contrasting structural ensembles of different protein variants helps connect specific structural features to a protein’s biochemical properties. Here, the authors propose DiffNets, a self-supervised, deep learning method that streamlines this process.
format	article
author	Michael D. Ward Maxwell I. Zimmerman Artur Meller Moses Chung S. J. Swamidass Gregory R. Bowman
author_facet	Michael D. Ward Maxwell I. Zimmerman Artur Meller Moses Chung S. J. Swamidass Gregory R. Bowman
author_sort	Michael D. Ward
title	Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets
title_short	Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets
title_full	Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets
title_fullStr	Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets
title_full_unstemmed	Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets
title_sort	deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with diffnets
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/13c6be6650f24dc28b6a7660d1256cac
work_keys_str_mv	AT michaeldward deeplearningthestructuraldeterminantsofproteinbiochemicalpropertiesbycomparingstructuralensembleswithdiffnets AT maxwellizimmerman deeplearningthestructuraldeterminantsofproteinbiochemicalpropertiesbycomparingstructuralensembleswithdiffnets AT arturmeller deeplearningthestructuraldeterminantsofproteinbiochemicalpropertiesbycomparingstructuralensembleswithdiffnets AT moseschung deeplearningthestructuraldeterminantsofproteinbiochemicalpropertiesbycomparingstructuralensembleswithdiffnets AT sjswamidass deeplearningthestructuraldeterminantsofproteinbiochemicalpropertiesbycomparingstructuralensembleswithdiffnets AT gregoryrbowman deeplearningthestructuraldeterminantsofproteinbiochemicalpropertiesbycomparingstructuralensembleswithdiffnets
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Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets

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