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    Parameterization of bacterial peptidoglycan for state-of-the-art molecular dynamics coarse-grain force fields

    Publication
    by Reis Catarino, João Filipe
    "The cellwallisoneofthemostdefiningcharacteristicsofbacteria.Itplaysacrucialrole in cellintegritywhileregulatingthepassivetransportofmanynutrientsandproteins.The main culpritbehindthecellwallpropertiesisthepeptidoglycanpolymer.Itiscomposed of abackboneoftwoalternatingsugars(NAGandNAM)andapentapeptidelinkedto everyNAMsugar.Thispentapeptideiscapableofcross-linkingwithotherpeptidesto create largemeshes.(...)"
    2025 master thesis Portugal open access