Sampling Performance of Multiple Independent Molecular Dynamics Simulations of an RNA Aptamer

[Image: see text] Using multiple independent simulations instead of one long simulation has been shown to improve the sampling performance attained with the molecular dynamics (MD) simulation method. However, it is generally not known how long each independent simulation should be, how many independ...

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Detalles Bibliográficos
Autores principales: Yan, Shuting, Peck, Jason M., Ilgu, Muslum, Nilsen-Hamilton, Marit, Lamm, Monica H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7439393/
https://www.ncbi.nlm.nih.gov/pubmed/32832772
http://dx.doi.org/10.1021/acsomega.0c01867

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7439393/
https://www.ncbi.nlm.nih.gov/pubmed/32832772
http://dx.doi.org/10.1021/acsomega.0c01867

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