Articles with "modelling computational" as a keyword



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Molecular modelling and computational studies of peptide diphenylalanine nanotubes, containing waters: structural and interactions analysis

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Published in 2022 at "Journal of Molecular Modeling"

DOI: 10.1007/s00894-022-05074-2

Abstract: The work is devoted to computer studies of the structural and physical properties of such self-organizing structures as peptide nanotubes (PNT) based on diphenylalanine (FF) dipeptide with different initial isomers of the left (L-FF) and… read more here.

Keywords: water molecules; analysis; molecular modelling; modelling computational ... See more keywords