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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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Pubblicato in:eLife
Autori principali: Gapsys, Vytautas, de Groot, Bert L
Natura: Artigo
Lingua:Inglês
Pubblicazione: eLife Sciences Publications, Ltd 2019
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC6586461/
https://ncbi.nlm.nih.gov/pubmed/31219782
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.7554/eLife.44718
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