Comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'

A recent molecular dynamics investigation into the stability of hemoglobin concluded that the unliganded protein is only stable in the T state when a solvent box is used in the simulations that is ten times larger than what is usually employed (El Hage et al., 2018). Here, we express three main conc...

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Bibliographic Details
Main Authors: Vytautas Gapsys, Bert L de Groot
Format: Article
Language:English
Published: eLife Sciences Publications Ltd 2019-06-01
Series:eLife
Subjects:
Online Access:https://elifesciences.org/articles/44718