@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dcatap: <http://data.europa.eu/r5r/> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix obi: <http://purl.obolibrary.org/obo/OBI_> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

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    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Pluhackova Kristyna" ] ;
    dct:description """<p>Simulation files, molecular structures and trajectories tetrameric GlpF wild type and M4C mutant. in the latter, 4 cysteine residues in the transmembrane helix bundle of GlpF, in detail C11, C28, C80, and C99 are replaced by glycines.  The data underlays our publication on the role of those 4 cysteine residues for stability of membrane inserted tetrameric GlpF in a simple 3-component membrane mimic of   E. coli polar lipid extract (PLE).</p>

The zips include:<br>
1. the charmm36-july2017.ff simulation directory for GROMACS 202X<br>
2. gromacs simulation files (topologies and mdp files)<br>
3. snapshots of first and last (3µs) frames of two replica of the simulations including all atoms in the simulation systems<br>
4. protein trajectories saved every 100 ps<br>
5. protein pdb files every 100 ns""" ;
    dct:identifier "https://doi.org/https://doi.org/10.18419/DARUS-5324" ;
    dct:issued "2025-11-04"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-11-04"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "DaRUS" ] ;
    dct:subject <https://doi.org/https://doi.org/10.18419/DARUS-5324#sample> ;
    dct:title "Supplementary Data to: \"Cysteine-mediated structural stabilization of the tetrameric GlpF\"" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "https://doi.org/10.18419/DARUS-5324" ],
        [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/doi-10-18419-darus-5324" ] ;
    dcat:landingPage <https://doi.org/10.18419/DARUS-5324> ;
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obi:0000070 a schema1:DefinedTerm ;
    schema1:name "assay" .

<https://creativecommons.org/licenses/by/4.0> a <http://data.europa.eu/eli/ontology#LegalResource> ;
    dct:title "Attribution 4.0 International (CC BY 4.0)" .

<https://doi.org/10.18419/DARUS-5324> a foaf:Document .

<https://doi.org/https://doi.org/10.18419/DARUS-5324#measurement> a obi:0000070,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/https://doi.org/10.18419/DARUS-5324#sample> .

<https://doi.org/https://doi.org/10.18419/DARUS-5324#sample_compound> a chebi:23367 .

<https://doi.org/https://doi.org/10.18419/DARUS-5324#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/https://doi.org/10.18419/DARUS-5324#sample_compound> ;
    dct:title "evaluated sample" .