Articles with "sampling performance" as a keyword



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

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Published in 2020 at "ACS Omega"

DOI: 10.1021/acsomega.0c01867

Abstract: 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… read more here.

Keywords: multiple independent; sampling performance; rna aptamer; novo predicted ... See more keywords