. . . . "" . "Environmental research" . . "" . "Life sciences" . . "" . "Physical sciences" . . "" . "Chemistry" . . "service-account-enrichment" . . . . . . . "8180"^^ . "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:\n1. \"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; \n\n2. \"water_MD\": Simulations in WATER of PIPLC Thuri (Built from 2OR2 and 3EA1 files), 3 x 20ns each :\n - wt_thuri_-_-combi_2or2_3ea1 : Wild type\n - y248a_thuri_-_-combi_2or2_3ea1 : Tyr248Ala mutant. \n\"correl\" and \"fluct\" directories contain data files with comparison of atomic fluctuations and correlations between the two sets of simulations\n\n3. \"membane_MD\"" . "application/ld+json" . . . . . "https://w3id.org/ro-id/87076787-5876-423a-aa6f-fe5aa9beaf44" . . "2013_Grauffel_etal_JACS" . "MANUAL" . . . . . . "Nathalie Reuter. \"2013_Grauffel_etal_JACS.\" ROHub. Mar 22 ,2022. https://w3id.org/ro-id/87076787-5876-423a-aa6f-fe5aa9beaf44." . "raw data" . . . "metadata" . . . . "biblio" . . . . "data" . . . . "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" . . . . "Reuter, N. (2021).2013_Grauffel_etal_JACS [Data set]. Norstore. https://doi.org/10.11582/2021.00102" . "Nathalie Reuter" . "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:\n1. \"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; \n\n2. \"water_MD\": Simulations in WATER of PIPLC Thuri (Built from 2OR2 and 3EA1 files), 3 x 20ns each :\n - wt_thuri_-_-combi_2or2_3ea1 : Wild type\n - y248a_thuri_-_-combi_2or2_3ea1 : Tyr248Ala mutant. \n\"correl\" and \"fluct\" directories contain data files with comparison of atomic fluctuations and correlations between the two sets of simulations\n\n3. \"membane_MD\"" . . "2013_Grauffel_etal_JACS" . "2021-11-22 00:00:00" . . . . "Nathalie Reuter" . . . . "Geo H." . . "nathalie.reuter@rohub.com" . "Nathalie Reuter" . . . "2026-03-03T16:14:13.970+01:00"^^ . . . . "2013_Grauffel_etal_JACS" . "RSA" . "MIIBIjANBgkqhkiG9w0BAQEFAAOCAQ8AMIIBCgKCAQEAxszSDYX5tuCSkP7UiCtftYPFNQVTjgNu0I5fwdML2DLRDlp0xzmsQXRk8oHuvwGvG1aMjj6cpUqO+0rz2Sg/wvHOgUpkRH8VJXvmlkhafMLCMtUtk5JIx7e+fkzCby+fnmD7kMkGLrT+OaExWwEDmNlCAt0TPKcHSdwsjso2isXjtAsGevyCMke8ufnFYpjs746JES1eNzVnHnn2Kp/lqcm60GM+J8dLgRZp7fX0anW098xhKym6+xXFzqeju0vYRIHBPerv+r7skWxwk+a7Sd8msqVeYEv6NTqnyWvyWb6Yh8cvj04N6qm/T6C5FUPLQhzSaQgMVMU6yLqjPuu9DwIDAQAB" . "WSogQ8d2QdlAmt8NOGakuvU3i/EDJPJcysXaKkvyY4C2YU3cMKl+9V5mN4zieOK2Oc2cPGHjJ+bpd5X7YredttM54/zDrVH9+aXLEK6xsdGditoyML+/9aJav8Fd3UNbosJSQ1iXrvc4GoLsCtpQs4aP2l1rVBl+0rFkoQ7Ok8++cNcPCh2vH0haeegziysZ0j2sOhLVwH9F1qwpZFRbYs7YWdwmjQe5jGR0U6WnmPTv4jbTWQOProkeTFEiNRyvFieflOd+viIDP9euqtuAmq92lVlgwMfPp9HaSQc5/ffXaXxltbcBg9v/pCxPIuVtECtgYwT1/BrzAQCz2dyPGA==" . . .