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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: 1. Li_alphaIA1 on a pure POPC bilayer; 2. Li_alphaIA1 on a PC:SM:CHOL (70:20:10) bilayer; 3. Li_alphaIA1 on a POPC:POPE (50:50) bilayer; 4. Ll_alphaIII on a pure POPC bilayer; 5. Ll_alphaIII on a PC:SM:CHOL (70:20:10) bilayer; 6. R44Y/S60Y St_beta1B1 on a pure POPC bilayer; 7. St_beta1B1 on a pure POPC bilayer; 8. St_beta1B1 on a PC:SM:CHOL (70:20:10) bilayer; 9. 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http://w3id.org/ro/earth-science#IPTC Pope https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#IPTC Religious leader https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Lemma POPC https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Lemma S60Y St_beta1B1 https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Lemma bilayer https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Lemma clade https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Lemma enzyme https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Lemma lipid https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Lemma phospholipase https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#NASA chemistry and materials https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Phrase Loxosceles phospholipase d enzyme https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Phrase POPC bilayer https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Phrase bilayer composition https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Phrase choline-containing lipid https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Phrase pure POPC https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Sentence Specificity of Loxosceles alpha clade phospholipase D enzymes for choline-containing lipids: role of a conserved aromatic cage. https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Sentence The bilayers are used are a pure POPC, PC:SM:CHOL (70:20:10) and POPC:POPE (50:50) bilayer. https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://w3id.org/ro/earth-science#Sentence This dataset contains molecular dynamic simulation data of Loxosceles phospholipase D enzymes, of both clades, in presence of different bilayer compositions. https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/ro#ResearchObject https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/roevo#LiveRO https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/Dataset https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://w3id.org/ro/earth-science#DataResearchObject https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ http://www.w3.org/1999/02/22-rdf-syntax-ns#type https://w3id.org/ro/terms/earth-science#DataResearchObject https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ https://w3id.org/contentdesc#Domain biochemistry https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/ https://www.w3.org/ns/iana/link-relations/relation#cite-as 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. https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/188e6998-8876-4e08-8b46-217fd3579a1a http://schema.org/name metadata https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/188e6998-8876-4e08-8b46-217fd3579a1a http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Folder https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/188e6998-8876-4e08-8b46-217fd3579a1a http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/Dataset https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/3403b3e4-0999-4ad1-b16e-f8530ba05ef6 http://schema.org/name biblio https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/3403b3e4-0999-4ad1-b16e-f8530ba05ef6 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Folder https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/3403b3e4-0999-4ad1-b16e-f8530ba05ef6 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/Dataset https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/91a181ac-c00d-4449-8d76-88a2094dc49e http://schema.org/hasPart https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/91a181ac-c00d-4449-8d76-88a2094dc49e http://schema.org/name data https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/91a181ac-c00d-4449-8d76-88a2094dc49e http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Folder https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/91a181ac-c00d-4449-8d76-88a2094dc49e http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/Dataset https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/9f89a068-45d8-4c04-be8c-3ba7172c2ab8 http://schema.org/name raw data https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/9f89a068-45d8-4c04-be8c-3ba7172c2ab8 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Folder https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/folders/9f89a068-45d8-4c04-be8c-3ba7172c2ab8 http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://schema.org/Dataset https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://purl.org/dc/terms/bibliographicCitation 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 https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://purl.org/dc/terms/rightsHolder Nathalie Reuter https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://purl.org/dc/terms/type Simulation https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://schema.org/author mailto:georgehadib@gmail.com https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://schema.org/contentUrl https://archive.sigma2.no/pages/public/datasetDetail.jsf?id=10.11582/2021.00099 https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://schema.org/creator mailto:georgehadib@gmail.com https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://schema.org/dateCreated 2021-11-19 00:00:00 https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://schema.org/dateModified 2022-03-22 02:19:33.483910+00:00 https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://schema.org/description 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: 1. Li_alphaIA1 on a pure POPC bilayer; 2. Li_alphaIA1 on a PC:SM:CHOL (70:20:10) bilayer; 3. Li_alphaIA1 on a POPC:POPE (50:50) bilayer; 4. Ll_alphaIII on a pure POPC bilayer; 5. Ll_alphaIII on a PC:SM:CHOL (70:20:10) bilayer; 6. R44Y/S60Y St_beta1B1 on a pure POPC bilayer; 7. St_beta1B1 on a pure POPC bilayer; 8. St_beta1B1 on a PC:SM:CHOL (70:20:10) bilayer; 9. St_beta1B1 on a POPC:POPE (50:50) bilayer; https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://schema.org/license https://choosealicense.com/no-permission/ https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://schema.org/name Specificity of Loxosceles alpha clade phospholipase D enzymes for choline-containing lipids: role of a conserved aromatic cage https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://schema.org/sdDatePublished 2021-11-19 00:00:00 https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://www.w3.org/1999/02/22-rdf-syntax-ns#type http://purl.org/wf4ever/wf4ever#Dataset https://w3id.org/ro-id/d5486b94-4c58-4cb4-8b1e-6945adf5eba9/resources/acc69a5a-2940-4049-9907-4812c8b3369e http://www.w3.org/1999/02/22-rdf-syntax-ns#type 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