. . . . "" . "Environmental research" . . "" . "Life sciences" . . "" . "Physical sciences" . . "service-account-enrichment" . . . . . . "7833"^^ . "https://api.rohub.org/api/ros/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/crate/download/" . . "2022-03-22 02:19:17.388294+00:00" . "2025-03-05 01:19:14.776191+00:00" . "2022-03-22 02:19:17.388294+00:00" . "This dataset contains molecular dynamic simulation data of Loxosceles phospholipase D enzymes, of both clades, in presence of different bilayer compositions. The enzymes simulated are Li_alphaIA1, St_beta1B1, Ll_alphaIII and R44Y/S60Y St_beta1B1. The bilayers are used are a pure POPC, PC:SM:CHOL (70:20:10) and POPC:POPE (50:50) bilayer. The trajectories are in DCD format and the topology file in PSF format.The following simulations are available: \n 1. Li_alphaIA1 on a pure POPC bilayer;\n 2. Li_alphaIA1 on a PC:SM:CHOL (70:20:10) bilayer;\n 3. Li_alphaIA1 on a POPC:POPE (50:50) bilayer;\n 4. Ll_alphaIII on a pure POPC bilayer;\n 5. Ll_alphaIII on a PC:SM:CHOL (70:20:10) bilayer;\n 6. R44Y/S60Y St_beta1B1 on a pure POPC bilayer;\n 7. St_beta1B1 on a pure POPC bilayer;\n 8. St_beta1B1 on a PC:SM:CHOL (70:20:10) bilayer;\n 9. St_beta1B1 on a POPC:POPE (50:50) bilayer;" . "application/ld+json" . . . . . "https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9" . . "Specificity of Loxosceles alpha clade phospholipase D enzymes for choline-containing lipids: role of a conserved aromatic cage" . "MANUAL" . "bilayer" . "choline" . "clade" . "dataset" . "enzyme" . "information" . "lipid" . "phospholipase" . "simulation" . "earth sciences" . "Hardware" . "IT-computer sciences" . "Pope" . "Religious leader" . "POPC" . "S60Y St_beta1B1" . "bilayer" . "clade" . "enzyme" . "lipid" . "phospholipase" . "chemistry and materials" . "Loxosceles phospholipase d enzyme" . "POPC bilayer" . "bilayer composition" . "choline-containing lipid" . "pure POPC" . "Specificity of Loxosceles alpha clade phospholipase D enzymes for choline-containing lipids: role of a conserved aromatic cage." . "The bilayers are used are a pure POPC, PC:SM:CHOL (70:20:10) and POPC:POPE (50:50) bilayer." . "This dataset contains molecular dynamic simulation data of Loxosceles phospholipase D enzymes, of both clades, in presence of different bilayer compositions." . . . . . . "biochemistry" . "Emmanuel Moutoussamy. \"Specificity of Loxosceles alpha clade phospholipase D enzymes for choline-containing lipids: role of a conserved aromatic cage.\" ROHub. Mar 22 ,2022. https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9." . "metadata" . . . "biblio" . . . . "data" . . . "raw data" . . . "Moutoussamy, E. (2021).Specificity of Loxosceles alpha clade phospholipase D enzymes for choline-containing lipids: role of a conserved aromatic cage [Data set]. Norstore. https://doi.org/10.11582/2021.00099" . "Nathalie Reuter" . "Simulation" . . "https://archive.sigma2.no/pages/public/datasetDetail.jsf?id=10.11582/2021.00099" . . "2021-11-19 00:00:00" . "2022-03-22 02:19:33.483910+00:00" . "This dataset contains molecular dynamic simulation data of Loxosceles phospholipase D enzymes, of both clades, in presence of different bilayer compositions. The enzymes simulated are Li_alphaIA1, St_beta1B1, Ll_alphaIII and R44Y/S60Y St_beta1B1. The bilayers are used are a pure POPC, PC:SM:CHOL (70:20:10) and POPC:POPE (50:50) bilayer. The trajectories are in DCD format and the topology file in PSF format.The following simulations are available: \n 1. Li_alphaIA1 on a pure POPC bilayer;\n 2. Li_alphaIA1 on a PC:SM:CHOL (70:20:10) bilayer;\n 3. Li_alphaIA1 on a POPC:POPE (50:50) bilayer;\n 4. Ll_alphaIII on a pure POPC bilayer;\n 5. Ll_alphaIII on a PC:SM:CHOL (70:20:10) bilayer;\n 6. R44Y/S60Y St_beta1B1 on a pure POPC bilayer;\n 7. St_beta1B1 on a pure POPC bilayer;\n 8. St_beta1B1 on a PC:SM:CHOL (70:20:10) bilayer;\n 9. St_beta1B1 on a POPC:POPE (50:50) bilayer;" . . "Specificity of Loxosceles alpha clade phospholipase D enzymes for choline-containing lipids: role of a conserved aromatic cage" . "2021-11-19 00:00:00" . . . . "Emmanuel Edouard Moutoussamy" . . . . "emmanuel.moutoussamy@rohub.com" . "Emmanuel Moutoussamy" . . "Geo H." . . . "2026-05-19T13:47:44.687+02:00"^^ . . . . . "Specificity of Loxosceles alpha clade phospholipase D enzymes for choline-containing lipids: role of a conserved aromatic cage" . "RSA" . "MIIBIjANBgkqhkiG9w0BAQEFAAOCAQ8AMIIBCgKCAQEAxszSDYX5tuCSkP7UiCtftYPFNQVTjgNu0I5fwdML2DLRDlp0xzmsQXRk8oHuvwGvG1aMjj6cpUqO+0rz2Sg/wvHOgUpkRH8VJXvmlkhafMLCMtUtk5JIx7e+fkzCby+fnmD7kMkGLrT+OaExWwEDmNlCAt0TPKcHSdwsjso2isXjtAsGevyCMke8ufnFYpjs746JES1eNzVnHnn2Kp/lqcm60GM+J8dLgRZp7fX0anW098xhKym6+xXFzqeju0vYRIHBPerv+r7skWxwk+a7Sd8msqVeYEv6NTqnyWvyWb6Yh8cvj04N6qm/T6C5FUPLQhzSaQgMVMU6yLqjPuu9DwIDAQAB" . 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