{"id":"https://openalex.org/W4282918903","doi":"https://doi.org/10.1093/nar/gkac380","title":"BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations","display_name":"BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations","publication_year":2022,"publication_date":"2022-05-02","ids":{"openalex":"https://openalex.org/W4282918903","doi":"https://doi.org/10.1093/nar/gkac380","pmid":"https://pubmed.ncbi.nlm.nih.gov/35639735"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gkac380","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkac380","pdf_url":"https://academic.oup.com/nar/article-pdf/50/W1/W99/44376454/gkac380.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/nar/article-pdf/50/W1/W99/44376454/gkac380.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5091460370","display_name":"Gen\u00eds Bayarri","orcid":"https://orcid.org/0000-0003-0513-0288"},"institutions":[{"id":"https://openalex.org/I4210122345","display_name":"Institute for Research in Biomedicine","ror":"https://ror.org/01z1gye03","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210122345","https://openalex.org/I4210132884","https://openalex.org/I4387153040"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Gen\u00eds Bayarri","raw_affiliation_strings":["Institute for Research in Biomedicine (IRB Barcelona). The Barcelona Institute of Science and Technology. Baldiri Reixac 10-12 , 08028 Barcelona , Spain"],"affiliations":[{"raw_affiliation_string":"Institute for Research in Biomedicine (IRB Barcelona). The Barcelona Institute of Science and Technology. Baldiri Reixac 10-12 , 08028 Barcelona , Spain","institution_ids":["https://openalex.org/I4210122345"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051114531","display_name":"Pau Andrio","orcid":"https://orcid.org/0000-0003-2116-3880"},"institutions":[{"id":"https://openalex.org/I2799803557","display_name":"Barcelona Supercomputing Center","ror":"https://ror.org/05sd8tv96","country_code":"ES","type":"facility","lineage":["https://openalex.org/I2799803557","https://openalex.org/I9617848"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Pau Andrio","raw_affiliation_strings":["Barcelona Supercomputing Center (BSC) , Jordi Girona 29, 08034, Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Barcelona Supercomputing Center (BSC) , Jordi Girona 29, 08034, Barcelona, Spain","institution_ids":["https://openalex.org/I9617848","https://openalex.org/I2799803557"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006399866","display_name":"Modesto Orozco","orcid":"https://orcid.org/0000-0002-8608-3278"},"institutions":[{"id":"https://openalex.org/I4210122345","display_name":"Institute for Research in Biomedicine","ror":"https://ror.org/01z1gye03","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210122345","https://openalex.org/I4210132884","https://openalex.org/I4387153040"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Modesto Orozco","raw_affiliation_strings":["Department of Biochemistry and Molecular Biology, University of Barcelona , 08028 Barcelona , Spain","Institute for Research in Biomedicine (IRB Barcelona). The Barcelona Institute of Science and Technology. Baldiri Reixac 10-12 , 08028 Barcelona , Spain"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Molecular Biology, University of Barcelona , 08028 Barcelona , Spain","institution_ids":["https://openalex.org/I71999127"]},{"raw_affiliation_string":"Institute for Research in Biomedicine (IRB Barcelona). The Barcelona Institute of Science and Technology. Baldiri Reixac 10-12 , 08028 Barcelona , Spain","institution_ids":["https://openalex.org/I4210122345"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5088134705","display_name":"Josep Llu\u00eds Gelp\u00ed","orcid":"https://orcid.org/0000-0002-0566-7723"},"institutions":[{"id":"https://openalex.org/I2799803557","display_name":"Barcelona Supercomputing Center","ror":"https://ror.org/05sd8tv96","country_code":"ES","type":"facility","lineage":["https://openalex.org/I2799803557","https://openalex.org/I9617848"]},{"id":"https://openalex.org/I4210122345","display_name":"Institute for Research in Biomedicine","ror":"https://ror.org/01z1gye03","country_code":"ES","type":"healthcare","lineage":["https://openalex.org/I4210122345","https://openalex.org/I4210132884","https://openalex.org/I4387153040"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Josep\u00a0Llu\u00eds Gelp\u00ed","raw_affiliation_strings":["Barcelona Supercomputing Center (BSC) , Jordi Girona 29, 08034, Barcelona, Spain","Department of Biochemistry and Molecular Biology, University of Barcelona , 08028 Barcelona , Spain","Institute for Research in Biomedicine (IRB Barcelona). The Barcelona Institute of Science and Technology. Baldiri Reixac 10-12 , 08028 Barcelona , Spain"],"affiliations":[{"raw_affiliation_string":"Barcelona Supercomputing Center (BSC) , Jordi Girona 29, 08034, Barcelona, Spain","institution_ids":["https://openalex.org/I9617848","https://openalex.org/I2799803557"]},{"raw_affiliation_string":"Department of Biochemistry and Molecular Biology, University of Barcelona , 08028 Barcelona , Spain","institution_ids":["https://openalex.org/I71999127"]},{"raw_affiliation_string":"Institute for Research in Biomedicine (IRB Barcelona). The Barcelona Institute of Science and Technology. Baldiri Reixac 10-12 , 08028 Barcelona , Spain","institution_ids":["https://openalex.org/I4210122345"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5006399866","https://openalex.org/A5088134705"],"corresponding_institution_ids":["https://openalex.org/I2799803557","https://openalex.org/I4210122345","https://openalex.org/I71999127","https://openalex.org/I9617848"],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":1.0423,"has_fulltext":false,"cited_by_count":13,"citation_normalized_percentile":{"value":0.74759606,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"50","issue":"W1","first_page":"W99","last_page":"W107"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9987999796867371,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9987999796867371,"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/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.9915000200271606,"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/T11162","display_name":"Enzyme Structure and Function","score":0.9897000193595886,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.8108903169631958},{"id":"https://openalex.org/keywords/graphical-user-interface","display_name":"Graphical user interface","score":0.7592944502830505},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7185395956039429},{"id":"https://openalex.org/keywords/interactivity","display_name":"Interactivity","score":0.6766263246536255},{"id":"https://openalex.org/keywords/user-interface","display_name":"User interface","score":0.5853097438812256},{"id":"https://openalex.org/keywords/interface","display_name":"Interface (matter)","score":0.5530944466590881},{"id":"https://openalex.org/keywords/human\u2013computer-interaction","display_name":"Human\u2013computer interaction","score":0.4937380254268646},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.4752885103225708},{"id":"https://openalex.org/keywords/login","display_name":"Login","score":0.4712897837162018},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.23597508668899536},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.20795029401779175}],"concepts":[{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.8108903169631958},{"id":"https://openalex.org/C37789001","wikidata":"https://www.wikidata.org/wiki/Q782543","display_name":"Graphical user interface","level":2,"score":0.7592944502830505},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7185395956039429},{"id":"https://openalex.org/C144430266","wikidata":"https://www.wikidata.org/wiki/Q839721","display_name":"Interactivity","level":2,"score":0.6766263246536255},{"id":"https://openalex.org/C89505385","wikidata":"https://www.wikidata.org/wiki/Q47146","display_name":"User interface","level":2,"score":0.5853097438812256},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.5530944466590881},{"id":"https://openalex.org/C107457646","wikidata":"https://www.wikidata.org/wiki/Q207434","display_name":"Human\u2013computer interaction","level":1,"score":0.4937380254268646},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.4752885103225708},{"id":"https://openalex.org/C113324615","wikidata":"https://www.wikidata.org/wiki/Q472302","display_name":"Login","level":2,"score":0.4712897837162018},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.23597508668899536},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.20795029401779175},{"id":"https://openalex.org/C129307140","wikidata":"https://www.wikidata.org/wiki/Q6795880","display_name":"Maximum bubble pressure method","level":3,"score":0.0},{"id":"https://openalex.org/C157915830","wikidata":"https://www.wikidata.org/wiki/Q2928001","display_name":"Bubble","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":5,"locations":[{"id":"doi:10.1093/nar/gkac380","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkac380","pdf_url":"https://academic.oup.com/nar/article-pdf/50/W1/W99/44376454/gkac380.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},{"id":"pmid:35639735","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35639735","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic acids research","raw_type":null},{"id":"pmh:oai:diposit.ub.edu:2445/189875","is_oa":true,"landing_page_url":"http://hdl.handle.net/2445/189875","pdf_url":null,"source":{"id":"https://openalex.org/S4306401653","display_name":"Dip\u00f2sit Digital de la Universitat de Barcelona (Universitat de Barcelona)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I71999127","host_organization_name":"Universitat de Barcelona","host_organization_lineage":["https://openalex.org/I71999127"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Articles publicats en revistes (Bioqu\u00edmica i Biomedicina Molecular)","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:pubmedcentral.nih.gov:9252775","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9252775","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Nucleic Acids Res","raw_type":"Text"},{"id":"pmh:oai:upcommons.upc.edu:2117/370057","is_oa":true,"landing_page_url":"http://hdl.handle.net/2117/370057","pdf_url":null,"source":{"id":"https://openalex.org/S4210207057","display_name":"QRU Quaderns de Recerca en Urbanisme","issn_l":"2014-9689","issn":["2014-9689","2385-6777"],"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/P4310322448","host_organization_name":"Q71272178","host_organization_lineage":["https://openalex.org/P4310322448"],"host_organization_lineage_names":["Q71272178"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article"}],"best_oa_location":{"id":"doi:10.1093/nar/gkac380","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkac380","pdf_url":"https://academic.oup.com/nar/article-pdf/50/W1/W99/44376454/gkac380.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.5799999833106995,"id":"https://metadata.un.org/sdg/9","display_name":"Industry, innovation and infrastructure"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320335322","display_name":"European Regional Development Fund","ror":"https://ror.org/00k4n6c32"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4282918903.pdf","grobid_xml":"https://content.openalex.org/works/W4282918903.grobid-xml"},"referenced_works_count":54,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1168671556","https://openalex.org/W1964831810","https://openalex.org/W1966127665","https://openalex.org/W2029667189","https://openalex.org/W2067236515","https://openalex.org/W2079199763","https://openalex.org/W2112712631","https://openalex.org/W2118233996","https://openalex.org/W2121400889","https://openalex.org/W2127821584","https://openalex.org/W2135184237","https://openalex.org/W2136482257","https://openalex.org/W2145374174","https://openalex.org/W2150981663","https://openalex.org/W2151800096","https://openalex.org/W2172241314","https://openalex.org/W2179425537","https://openalex.org/W2206954826","https://openalex.org/W2296686360","https://openalex.org/W2302501749","https://openalex.org/W2342347990","https://openalex.org/W2346143774","https://openalex.org/W2397547384","https://openalex.org/W2564298127","https://openalex.org/W2604622795","https://openalex.org/W2612598385","https://openalex.org/W2736977076","https://openalex.org/W2738606079","https://openalex.org/W2765745983","https://openalex.org/W2772618362","https://openalex.org/W2806399642","https://openalex.org/W2892745578","https://openalex.org/W2938194656","https://openalex.org/W2972751083","https://openalex.org/W2980812100","https://openalex.org/W2986579771","https://openalex.org/W2991285488","https://openalex.org/W3046751266","https://openalex.org/W3047952087","https://openalex.org/W3081474723","https://openalex.org/W3111799537","https://openalex.org/W3145808230","https://openalex.org/W3159156584","https://openalex.org/W3165407483","https://openalex.org/W3194365578","https://openalex.org/W3195039506","https://openalex.org/W3199102733","https://openalex.org/W3203800312","https://openalex.org/W3214018575","https://openalex.org/W4210600092","https://openalex.org/W4285773620","https://openalex.org/W6839889505","https://openalex.org/W7073782271"],"related_works":["https://openalex.org/W3180179400","https://openalex.org/W2118366689","https://openalex.org/W2477652530","https://openalex.org/W2116888309","https://openalex.org/W2039055059","https://openalex.org/W2381088774","https://openalex.org/W2281900275","https://openalex.org/W1936193182","https://openalex.org/W2183494409","https://openalex.org/W963721989"],"abstract_inverted_index":{"We":[0],"present":[1],"BioExcel":[2,26],"Building":[3,27],"Blocks":[4,28],"Workflows,":[5],"a":[6,15,87,146,166],"web-based":[7,82],"graphical":[8,83,171],"user":[9,84,172],"interface":[10,85],"(GUI)":[11],"offering":[12],"access":[13,79],"to":[14,53,66,98,105,110,122],"collection":[16],"of":[17,63,76,90,165],"transversal":[18],"pre-configured":[19],"biomolecular":[20,153],"simulation":[21,154],"workflows":[22,31],"assembled":[23],"with":[24,92,94,143,145,156],"the":[25,49,57,77,95,124,157],"library.":[29],"Available":[30],"include":[32],"Molecular":[33],"Dynamics":[34],"setup,":[35],"protein-ligand":[36],"docking,":[37],"trajectory":[38],"analyses":[39],"and":[40,100,108,127,141,160,169],"small":[41],"molecule":[42],"parameterization.":[43],"Workflows":[44],"can":[45,137],"be":[46,54,138],"launched":[47],"in":[48,56],"platform":[50],"or":[51],"downloaded":[52],"run":[55],"users'":[58,125],"own":[59],"premises.":[60],"Remote":[61],"launching":[62],"long":[64],"executions":[65],"user's":[67],"available":[68],"High-Performance":[69],"computers":[70],"is":[71,120,176],"possible,":[72],"only":[73],"requiring":[74],"configuration":[75],"appropriate":[78],"credentials.":[80,134],"The":[81,114,149,174],"offers":[86],"high":[88],"level":[89],"interactivity,":[91],"integration":[93],"NGL":[96],"viewer":[97],"visualize":[99,106],"check":[101],"3D":[102],"structures,":[103],"MDsrv":[104],"trajectories,":[107],"Plotly":[109],"explore":[111],"2D":[112],"plots.":[113],"server":[115,175],"requires":[116],"no":[117],"login":[118],"but":[119],"recommended":[121],"store":[123],"projects":[126,136],"manage":[128],"sensitive":[129],"information":[130],"such":[131],"as":[132],"remote":[133],"Private":[135],"made":[139],"public":[140],"shared":[142],"colleagues":[144],"simple":[147],"URL.":[148],"tool":[150],"will":[151],"help":[152],"users":[155],"most":[158],"common":[159],"repetitive":[161],"processes":[162],"by":[163],"means":[164],"very":[167],"intuitive":[168],"interactive":[170],"interface.":[173],"accessible":[177],"at":[178],"https://mmb.irbbarcelona.org/biobb-wfs.":[179]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":5},{"year":2023,"cited_by_count":6}],"updated_date":"2026-04-02T15:55:50.835912","created_date":"2025-10-10T00:00:00"}
