Articles with "rotational correlation" as a keyword



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Dynamics of heroin molecule inside the lipid membrane: a molecular dynamics study

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Published in 2019 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-019-4002-y

Abstract: Heroin, or diamorphine (C21H23NO5), is an opium product used for various pharmaceutical and euphoric purposes. In this work, the molecular dynamics simulation study of the heroin inside the two lipid bilayers, dipalmitoylphosphatidylcholine (DMPC) and dipalmitoylphosphatidylcholine… read more here.

Keywords: rotational correlation; molecular dynamics; inside lipid; lipid bilayers ... See more keywords