{"id":"https://openalex.org/W3200856291","doi":"https://doi.org/10.21105/joss.03521","title":"buildH: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters","display_name":"buildH: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters","publication_year":2021,"publication_date":"2021-09-19","ids":{"openalex":"https://openalex.org/W3200856291","doi":"https://doi.org/10.21105/joss.03521","mag":"3200856291"},"language":"en","primary_location":{"id":"doi:10.21105/joss.03521","is_oa":true,"landing_page_url":"https://doi.org/10.21105/joss.03521","pdf_url":"https://joss.theoj.org/papers/10.21105/joss.03521.pdf","source":{"id":"https://openalex.org/S4210214273","display_name":"The Journal of Open Source Software","issn_l":"2475-9066","issn":["2475-9066"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315853","host_organization_name":"Open Journals","host_organization_lineage":["https://openalex.org/P4310315853"],"host_organization_lineage_names":["Open Journals"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Open Source Software","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://joss.theoj.org/papers/10.21105/joss.03521.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5088082721","display_name":"Hubert Santuz","orcid":"https://orcid.org/0000-0001-6149-9480"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I2746051580","display_name":"Universit\u00e9 Paris Sciences et Lettres","ror":"https://ror.org/013cjyk83","country_code":"FR","type":"education","lineage":["https://openalex.org/I2746051580"]},{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]},{"id":"https://openalex.org/I4210094297","display_name":"Laboratoire de Biochimie Th\u00e9orique","ror":"https://ror.org/00nvjgv40","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I204730241","https://openalex.org/I4210094297","https://openalex.org/I4210128300"]},{"id":"https://openalex.org/I4210107423","display_name":"Institut de Biologie Physico-Chimique","ror":"https://ror.org/01na0pb61","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210096427","https://openalex.org/I4210107423"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Hubert Santuz","raw_affiliation_strings":["CNRS, Universit de Paris, UPR 9080, Laboratoire de Biochimie Thorique, 13 Rue Pierre et Marie Curie, F-75005 Paris, France","Institut de Biologie Physico-Chimique-Fondation Edmond de Rothschild, PSL Research University, Paris, France","LBT (UPR_9080) - Laboratoire de biochimie th\u00e9orique [Paris] (13 Rue Pierre et Marie Curie 75005 PARIS - France)","IBPC (FR_550) - Institut de biologie physico-chimique (13 Rue Pierre et Marie Curie 75005 PARIS - France)"],"raw_orcid":"https://orcid.org/0000-0001-6149-9480","affiliations":[{"raw_affiliation_string":"CNRS, Universit de Paris, UPR 9080, Laboratoire de Biochimie Thorique, 13 Rue Pierre et Marie Curie, F-75005 Paris, France","institution_ids":["https://openalex.org/I39804081","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"Institut de Biologie Physico-Chimique-Fondation Edmond de Rothschild, PSL Research University, Paris, France","institution_ids":["https://openalex.org/I4210107423","https://openalex.org/I2746051580"]},{"raw_affiliation_string":"LBT (UPR_9080) - Laboratoire de biochimie th\u00e9orique [Paris] (13 Rue Pierre et Marie Curie 75005 PARIS - France)","institution_ids":["https://openalex.org/I4210094297"]},{"raw_affiliation_string":"IBPC (FR_550) - Institut de biologie physico-chimique (13 Rue Pierre et Marie Curie 75005 PARIS - France)","institution_ids":["https://openalex.org/I4210107423"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069994626","display_name":"Am\u00e9lie B\u00e2cle","orcid":"https://orcid.org/0000-0002-3317-9110"},"institutions":[{"id":"https://openalex.org/I32881790","display_name":"Universit\u00e9 de Poitiers","ror":"https://ror.org/04xhy8q59","country_code":"FR","type":"education","lineage":["https://openalex.org/I32881790"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Am\u00e9lie Bacle","raw_affiliation_strings":["Laboratoire Coopratif \"Lipotoxicity and Channelopathies -ConicMeds,\" Universit de Poitiers, F-86000 Poitiers, France","LitCh - Lipotoxicity and Channelopathies - ConicMeds (Universit\u00e9 de Poitiers, 1, rue Georges Bonnet, 86073 Poitiers, France. - France)"],"raw_orcid":"https://orcid.org/0000-0002-3317-9110","affiliations":[{"raw_affiliation_string":"Laboratoire Coopratif \"Lipotoxicity and Channelopathies -ConicMeds,\" Universit de Poitiers, F-86000 Poitiers, France","institution_ids":["https://openalex.org/I32881790"]},{"raw_affiliation_string":"LitCh - Lipotoxicity and Channelopathies - ConicMeds (Universit\u00e9 de Poitiers, 1, rue Georges Bonnet, 86073 Poitiers, France. - France)","institution_ids":["https://openalex.org/I32881790"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055247353","display_name":"Pierre Poulain","orcid":"https://orcid.org/0000-0003-4177-3619"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]},{"id":"https://openalex.org/I4210113761","display_name":"Institut Jacques Monod","ror":"https://ror.org/02c5gc203","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I154526488","https://openalex.org/I204730241","https://openalex.org/I4210096427","https://openalex.org/I4210113761"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Pierre Poulain","raw_affiliation_strings":["Universit de Paris, CNRS, Institut Jacques Monod, F-75006, Paris, France","IJM (UMR_7592) - Institut Jacques Monod (Universit\u00e9 Paris Cit\u00e9, B\u00e2t. Buffon, 15 rue H\u00e9l\u00e8ne Brion, 75205 Paris c\u00e9dex 13 - France)"],"raw_orcid":"https://orcid.org/0000-0003-4177-3619","affiliations":[{"raw_affiliation_string":"Universit de Paris, CNRS, Institut Jacques Monod, F-75006, Paris, France","institution_ids":["https://openalex.org/I4210113761","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"IJM (UMR_7592) - Institut Jacques Monod (Universit\u00e9 Paris Cit\u00e9, B\u00e2t. Buffon, 15 rue H\u00e9l\u00e8ne Brion, 75205 Paris c\u00e9dex 13 - France)","institution_ids":["https://openalex.org/I204730241","https://openalex.org/I4210113761"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5080422693","display_name":"Patrick Fuchs","orcid":"https://orcid.org/0000-0001-7117-994X"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I204730241","display_name":"Universit\u00e9 Paris Cit\u00e9","ror":"https://ror.org/05f82e368","country_code":"FR","type":"education","lineage":["https://openalex.org/I204730241"]},{"id":"https://openalex.org/I39804081","display_name":"Sorbonne Universit\u00e9","ror":"https://ror.org/02en5vm52","country_code":"FR","type":"education","lineage":["https://openalex.org/I39804081"]},{"id":"https://openalex.org/I4210165010","display_name":"Laboratoire des Biomol\u00e9cules","ror":"https://ror.org/05vd6h165","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I154526488","https://openalex.org/I2746051580","https://openalex.org/I29607241","https://openalex.org/I39804081","https://openalex.org/I4210128300","https://openalex.org/I4210165010"]},{"id":"https://openalex.org/I48825208","display_name":"Universit\u00e9 Paris 8","ror":"https://ror.org/04wez5e68","country_code":"FR","type":"education","lineage":["https://openalex.org/I48825208"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Patrick Fuchs","raw_affiliation_strings":["Sorbonne Universit, Ecole Normale Suprieure, PSL Research University, CNRS, Laboratoire des Biomolcules (LBM), F-75005 Paris, France","Universit de Paris, UFR Sciences du Vivant, F-75013 Paris, France","LBM UMR 7203 - Laboratoire des biomol\u00e9cules (ENS - Laboratoire des BioMol\u00e9cules\r\n24 rue Lhomond\r\n75005  Paris - France)","UFR SDV UPCit\u00e9 - UFR Sciences du Vivant [Sciences] - Universit\u00e9 Paris Cit\u00e9 (France)"],"raw_orcid":"https://orcid.org/0000-0001-7117-994X","affiliations":[{"raw_affiliation_string":"Sorbonne Universit, Ecole Normale Suprieure, PSL Research University, CNRS, Laboratoire des Biomolcules (LBM), F-75005 Paris, France","institution_ids":["https://openalex.org/I39804081","https://openalex.org/I4210165010","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"Universit de Paris, UFR Sciences du Vivant, F-75013 Paris, France","institution_ids":["https://openalex.org/I48825208"]},{"raw_affiliation_string":"LBM UMR 7203 - Laboratoire des biomol\u00e9cules (ENS - Laboratoire des BioMol\u00e9cules\r\n24 rue Lhomond\r\n75005  Paris - France)","institution_ids":["https://openalex.org/I4210165010"]},{"raw_affiliation_string":"UFR SDV UPCit\u00e9 - UFR Sciences du Vivant [Sciences] - Universit\u00e9 Paris Cit\u00e9 (France)","institution_ids":["https://openalex.org/I204730241"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5088082721"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I39804081","https://openalex.org/I4210094297","https://openalex.org/I4210107423"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.08931787,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"6","issue":"65","first_page":"3521","last_page":"3521"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10407","display_name":"Lipid Membrane Structure and Behavior","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10407","display_name":"Lipid Membrane Structure and Behavior","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9961000084877014,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9858999848365784,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.7061336040496826},{"id":"https://openalex.org/keywords/hydrogen","display_name":"Hydrogen","score":0.6127935647964478},{"id":"https://openalex.org/keywords/order","display_name":"Order (exchange)","score":0.5672667026519775},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.5463292598724365},{"id":"https://openalex.org/keywords/hydrogen-atom","display_name":"Hydrogen atom","score":0.5340719819068909},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.454752117395401},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.4140920341014862},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3504709005355835},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.32269418239593506},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.21516579389572144},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.21099230647087097},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.07237684726715088},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.04561123251914978}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.7061336040496826},{"id":"https://openalex.org/C512968161","wikidata":"https://www.wikidata.org/wiki/Q556","display_name":"Hydrogen","level":2,"score":0.6127935647964478},{"id":"https://openalex.org/C182306322","wikidata":"https://www.wikidata.org/wiki/Q1779371","display_name":"Order (exchange)","level":2,"score":0.5672667026519775},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.5463292598724365},{"id":"https://openalex.org/C2776640939","wikidata":"https://www.wikidata.org/wiki/Q6643508","display_name":"Hydrogen atom","level":3,"score":0.5340719819068909},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.454752117395401},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.4140920341014862},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3504709005355835},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.32269418239593506},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.21516579389572144},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.21099230647087097},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.07237684726715088},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.04561123251914978},{"id":"https://openalex.org/C2781311116","wikidata":"https://www.wikidata.org/wiki/Q83306","display_name":"Group (periodic table)","level":2,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0},{"id":"https://openalex.org/C10138342","wikidata":"https://www.wikidata.org/wiki/Q43015","display_name":"Finance","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.21105/joss.03521","is_oa":true,"landing_page_url":"https://doi.org/10.21105/joss.03521","pdf_url":"https://joss.theoj.org/papers/10.21105/joss.03521.pdf","source":{"id":"https://openalex.org/S4210214273","display_name":"The Journal of Open Source Software","issn_l":"2475-9066","issn":["2475-9066"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315853","host_organization_name":"Open Journals","host_organization_lineage":["https://openalex.org/P4310315853"],"host_organization_lineage_names":["Open Journals"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Open Source Software","raw_type":"journal-article"},{"id":"pmh:oai:HAL:hal-03481632v1","is_oa":false,"landing_page_url":"https://hal.science/hal-03481632","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Open Source Software, 2021, 6 (65), pp.3521. ⟨10.21105/joss.03521⟩","raw_type":"Journal articles"}],"best_oa_location":{"id":"doi:10.21105/joss.03521","is_oa":true,"landing_page_url":"https://doi.org/10.21105/joss.03521","pdf_url":"https://joss.theoj.org/papers/10.21105/joss.03521.pdf","source":{"id":"https://openalex.org/S4210214273","display_name":"The Journal of Open Source Software","issn_l":"2475-9066","issn":["2475-9066"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315853","host_organization_name":"Open Journals","host_organization_lineage":["https://openalex.org/P4310315853"],"host_organization_lineage_names":["Open Journals"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Open Source Software","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.49000000953674316,"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9"}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3200856291.pdf","grobid_xml":"https://content.openalex.org/works/W3200856291.grobid-xml"},"referenced_works_count":24,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1981021420","https://openalex.org/W2006912550","https://openalex.org/W2007313234","https://openalex.org/W2026885029","https://openalex.org/W2031620290","https://openalex.org/W2049709847","https://openalex.org/W2066414494","https://openalex.org/W2081260116","https://openalex.org/W2153003531","https://openalex.org/W2169678694","https://openalex.org/W2170711116","https://openalex.org/W2245493112","https://openalex.org/W2344786551","https://openalex.org/W2460777304","https://openalex.org/W2510475640","https://openalex.org/W2534699084","https://openalex.org/W2554791570","https://openalex.org/W2625117623","https://openalex.org/W2752660625","https://openalex.org/W2977462811","https://openalex.org/W3035965352","https://openalex.org/W3099878876","https://openalex.org/W3195748254"],"related_works":["https://openalex.org/W2023156907","https://openalex.org/W1968806281","https://openalex.org/W3095515585","https://openalex.org/W3186870842","https://openalex.org/W4315498887","https://openalex.org/W2557857968","https://openalex.org/W3094899115","https://openalex.org/W4387333010","https://openalex.org/W2004176732","https://openalex.org/W3153571786"],"abstract_inverted_index":{"Santuz":[0],"et":[1],"al.,":[2],"(2021).":[3],"buildH:":[4],"Build":[5],"hydrogen":[6],"atoms":[7],"from":[8],"united-atom":[9],"molecular":[10],"dynamics":[11],"of":[12,20],"lipids":[13],"and":[14],"calculate":[15],"the":[16],"order":[17],"parameters.":[18],"Journal":[19],"Open":[21],"Source":[22],"Software,":[23],"6(65),":[24],"3521,":[25],"https://doi.org/10.21105/joss.03521":[26]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-05-07T13:39:58.223016","created_date":"2025-10-10T00:00:00"}