Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations

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Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulations

Shrestha et al. show that enhancing the sampling using Hamiltonian replica exchange molecular simulation (HREMD) leads to accurate unbiased ensembles of intrinsically disordered proteins. They find that standard molecular simulation cannot reproduce small-angle scattering data as well as HREMD, high...

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Detalles Bibliográficos
Autores principales:	Utsab R. Shrestha, Jeremy C. Smith, Loukas Petridis
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Biology (General) QH301-705.5
Acceso en línea:	https://doaj.org/article/3911449b65064629acd4ff1350e60032
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

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