Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets

Measuring interaction energies from experimentally measured single-molecular interactions is challenging. Here, the authors report a gamma work distribution applied to single molecule pulling events for estimating peptide absorption free energy.

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Autores principales:	Zhifeng Kuang, Kristi M. Singh, Daniel J. Oliver, Patrick B. Dennis, Carole C. Perry, Rajesh R. Naik
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/b565463dfbba4451935de502f02a04b8
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spelling	oai:doaj.org-article:b565463dfbba4451935de502f02a04b82021-12-02T17:31:54ZGamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets10.1038/s41467-020-19233-72041-1723https://doaj.org/article/b565463dfbba4451935de502f02a04b82020-11-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-19233-7https://doaj.org/toc/2041-1723Measuring interaction energies from experimentally measured single-molecular interactions is challenging. Here, the authors report a gamma work distribution applied to single molecule pulling events for estimating peptide absorption free energy.Zhifeng KuangKristi M. SinghDaniel J. OliverPatrick B. DennisCarole C. PerryRajesh R. NaikNature PortfolioarticleScienceQENNature Communications, Vol 11, Iss 1, Pp 1-10 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Zhifeng Kuang Kristi M. Singh Daniel J. Oliver Patrick B. Dennis Carole C. Perry Rajesh R. Naik Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets
description	Measuring interaction energies from experimentally measured single-molecular interactions is challenging. Here, the authors report a gamma work distribution applied to single molecule pulling events for estimating peptide absorption free energy.
format	article
author	Zhifeng Kuang Kristi M. Singh Daniel J. Oliver Patrick B. Dennis Carole C. Perry Rajesh R. Naik
author_facet	Zhifeng Kuang Kristi M. Singh Daniel J. Oliver Patrick B. Dennis Carole C. Perry Rajesh R. Naik
author_sort	Zhifeng Kuang
title	Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets
title_short	Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets
title_full	Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets
title_fullStr	Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets
title_full_unstemmed	Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets
title_sort	gamma estimator of jarzynski equality for recovering binding energies from noisy dynamic data sets
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/b565463dfbba4451935de502f02a04b8
work_keys_str_mv	AT zhifengkuang gammaestimatorofjarzynskiequalityforrecoveringbindingenergiesfromnoisydynamicdatasets AT kristimsingh gammaestimatorofjarzynskiequalityforrecoveringbindingenergiesfromnoisydynamicdatasets AT danieljoliver gammaestimatorofjarzynskiequalityforrecoveringbindingenergiesfromnoisydynamicdatasets AT patrickbdennis gammaestimatorofjarzynskiequalityforrecoveringbindingenergiesfromnoisydynamicdatasets AT carolecperry gammaestimatorofjarzynskiequalityforrecoveringbindingenergiesfromnoisydynamicdatasets AT rajeshrnaik gammaestimatorofjarzynskiequalityforrecoveringbindingenergiesfromnoisydynamicdatasets
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Gamma estimator of Jarzynski equality for recovering binding energies from noisy dynamic data sets

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