@prefix this: . @prefix sub: . @prefix np: . @prefix dct: . @prefix xsd: . @prefix rdfs: . @prefix prov: . @prefix npx: . sub:Head { this: np:hasAssertion sub:assertion; np:hasProvenance sub:provenance; np:hasPublicationInfo sub:pubinfo; a np:Nanopublication . } sub:assertion { ""; "Environmental research"; a . ""; "Life sciences"; a . ""; "Physical sciences"; a . ""; "Chemistry"; a . "service-account-enrichment"; a . , , , ; ; "8180"^^xsd:integer; "https://api.rohub.org/api/ros/87076787-5876-423a-aa6f-fe5aa9beaf44/crate/download/"; ; "2022-03-22 02:18:15.453143+00:00"; "2025-03-05 00:45:27.291274+00:00"; "2022-03-22 02:18:15.453143+00:00"; """Three folders are included in the datasets: 1. \"imm1\": All IMM1-GC simulations stored in the following directories. Organisation is always the same: - DCD files can be found in the scr directory, 6 starting orientations (1 to 6) and 3 replicas of each (\"\", \"bis\" and \"ter\") : thuri_{1,2,3,4,5,6}_{40,40_bis,40_ter}.dcd, - PDB CRD PSF files are TGZ compressed : pdb_files.tar / crd_files.tar / psf_files.tar; 2. \"water_MD\": Simulations in WATER of PIPLC Thuri (Built from 2OR2 and 3EA1 files), 3 x 20ns each : - wt_thuri_-_-combi_2or2_3ea1 : Wild type - y248a_thuri_-_-combi_2or2_3ea1 : Tyr248Ala mutant. \"correl\" and \"fluct\" directories contain data files with comparison of atomic fluctuations and correlations between the two sets of simulations 3. \"membane_MD\""""; "application/ld+json"; , , , ; "https://w3id.org/ro-id/87076787-5876-423a-aa6f-fe5aa9beaf44"; ; "2013_Grauffel_etal_JACS"; "MANUAL"; a , , , , ; "Nathalie Reuter. \"2013_Grauffel_etal_JACS.\" ROHub. Mar 22 ,2022. https://w3id.org/ro-id/87076787-5876-423a-aa6f-fe5aa9beaf44." . "raw data"; a , . "metadata"; a , . ; "biblio"; a , . ; "data"; a , . ; "https://doi.org/10.1021/ja312656v"; ; "2022-03-22 02:18:28.793487+00:00"; "2022-03-22 02:18:28.980767+00:00"; ; "https://doi.org/10.1021/ja312656v"; "2022-03-22 02:18:28.793487+00:00"; a dct:BibliographicResource, , . dct:bibliographicCitation "Reuter, N. (2021).2013_Grauffel_etal_JACS [Data set]. Norstore. https://doi.org/10.11582/2021.00102"; dct:rightsHolder "Nathalie Reuter"; dct:type "Simulation"; ; "https://archive.sigma2.no/pages/public/datasetDetail.jsf?id=10.11582/2021.00102"; ; "2021-11-22 00:00:00"; "2022-03-22 02:18:35.998059+00:00"; """Three folders are included in the datasets: 1. \"imm1\": All IMM1-GC simulations stored in the following directories. Organisation is always the same: - DCD files can be found in the scr directory, 6 starting orientations (1 to 6) and 3 replicas of each (\"\", \"bis\" and \"ter\") : thuri_{1,2,3,4,5,6}_{40,40_bis,40_ter}.dcd, - PDB CRD PSF files are TGZ compressed : pdb_files.tar / crd_files.tar / psf_files.tar; 2. \"water_MD\": Simulations in WATER of PIPLC Thuri (Built from 2OR2 and 3EA1 files), 3 x 20ns each : - wt_thuri_-_-combi_2or2_3ea1 : Wild type - y248a_thuri_-_-combi_2or2_3ea1 : Tyr248Ala mutant. \"correl\" and \"fluct\" directories contain data files with comparison of atomic fluctuations and correlations between the two sets of simulations 3. \"membane_MD\""""; ; "2013_Grauffel_etal_JACS"; "2021-11-22 00:00:00"; a , , ; "Nathalie Reuter" . dct:conformsTo ; ; a . "Geo H."; a . "nathalie.reuter@rohub.com"; "Nathalie Reuter"; a . } sub:provenance { sub:assertion prov:wasDerivedFrom . } sub:pubinfo { this: dct:created "2026-03-03T16:14:13.970+01:00"^^xsd:dateTime; dct:creator ; npx:introduces ; a npx:RoCrateNanopub; rdfs:label "2013_Grauffel_etal_JACS" . sub:sig npx:hasAlgorithm "RSA"; npx:hasPublicKey "MIIBIjANBgkqhkiG9w0BAQEFAAOCAQ8AMIIBCgKCAQEAxszSDYX5tuCSkP7UiCtftYPFNQVTjgNu0I5fwdML2DLRDlp0xzmsQXRk8oHuvwGvG1aMjj6cpUqO+0rz2Sg/wvHOgUpkRH8VJXvmlkhafMLCMtUtk5JIx7e+fkzCby+fnmD7kMkGLrT+OaExWwEDmNlCAt0TPKcHSdwsjso2isXjtAsGevyCMke8ufnFYpjs746JES1eNzVnHnn2Kp/lqcm60GM+J8dLgRZp7fX0anW098xhKym6+xXFzqeju0vYRIHBPerv+r7skWxwk+a7Sd8msqVeYEv6NTqnyWvyWb6Yh8cvj04N6qm/T6C5FUPLQhzSaQgMVMU6yLqjPuu9DwIDAQAB"; npx:hasSignature "WSogQ8d2QdlAmt8NOGakuvU3i/EDJPJcysXaKkvyY4C2YU3cMKl+9V5mN4zieOK2Oc2cPGHjJ+bpd5X7YredttM54/zDrVH9+aXLEK6xsdGditoyML+/9aJav8Fd3UNbosJSQ1iXrvc4GoLsCtpQs4aP2l1rVBl+0rFkoQ7Ok8++cNcPCh2vH0haeegziysZ0j2sOhLVwH9F1qwpZFRbYs7YWdwmjQe5jGR0U6WnmPTv4jbTWQOProkeTFEiNRyvFieflOd+viIDP9euqtuAmq92lVlgwMfPp9HaSQc5/ffXaXxltbcBg9v/pCxPIuVtECtgYwT1/BrzAQCz2dyPGA=="; npx:hasSignatureTarget this:; npx:signedBy . }