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Out of Sight, Out of Mind: The Effect of the Equilibration Protocol on the Structural Ensembles of Charged Glycolipid Bilayers

Molecular dynamics (MD) simulations represent an essential tool in the toolbox of modern chemistry, enabling the prediction of experimental observables for a variety of chemical systems and processes and majorly impacting the study of biological membranes. However, the chemical diversity of complex...

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Detalles Bibliográficos
Autores principales:	Messias, Andresa, Santos, Denys E. S., Pontes, Frederico J. S., Lima, Filipe S., Soares, Thereza A.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7663769/ https://www.ncbi.nlm.nih.gov/pubmed/33158044 http://dx.doi.org/10.3390/molecules25215120

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