{"id":"https://openalex.org/W2137881695","doi":"https://doi.org/10.1023/a:1011128521816","title":"The search for a new model structure of \u03b2-Factor XIIa","display_name":"The search for a new model structure of \u03b2-Factor XIIa","publication_year":2001,"publication_date":"2001-04-01","ids":{"openalex":"https://openalex.org/W2137881695","doi":"https://doi.org/10.1023/a:1011128521816","mag":"2137881695","pmid":"https://pubmed.ncbi.nlm.nih.gov/11349814"},"language":"en","primary_location":{"id":"doi:10.1023/a:1011128521816","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1011128521816","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5030034792","display_name":"Elsa S. Henriques","orcid":"https://orcid.org/0000-0001-7313-3232"},"institutions":[{"id":"https://openalex.org/I4210138594","display_name":"Rede de Qu\u00edmica e Tecnologia","ror":"https://ror.org/04j14t006","country_code":"PT","type":"nonprofit","lineage":["https://openalex.org/I4210138594"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"Elsa S. Henriques","raw_affiliation_strings":["CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Portugal","CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00e9ncias, Universidade do Porto, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Portugal","institution_ids":["https://openalex.org/I4210138594"]},{"raw_affiliation_string":"CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00e9ncias, Universidade do Porto, Portugal","institution_ids":["https://openalex.org/I4210138594"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039201776","display_name":"Wely B. Floriano","orcid":"https://orcid.org/0000-0001-8913-0458"},"institutions":[{"id":"https://openalex.org/I51235708","display_name":"Universidade Federal do Esp\u00edrito Santo","ror":"https://ror.org/05sxf4h28","country_code":"BR","type":"education","lineage":["https://openalex.org/I51235708"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Welly B. Floriano","raw_affiliation_strings":["Centro de Ciencias Exatas, Departamento de Fisica, Universidade Federal do Espirito Santo, Av. Fernando Ferrari s/n, Goiabeiras, Vitoria, ES 29060-900, Brazil","Centro de Ciencias Exatas, Departamento de Fisica, Universidade Federal do Espirito Santo, Goiabeiras, Vitoria, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Ciencias Exatas, Departamento de Fisica, Universidade Federal do Espirito Santo, Av. Fernando Ferrari s/n, Goiabeiras, Vitoria, ES 29060-900, Brazil","institution_ids":["https://openalex.org/I51235708"]},{"raw_affiliation_string":"Centro de Ciencias Exatas, Departamento de Fisica, Universidade Federal do Espirito Santo, Goiabeiras, Vitoria, Brazil","institution_ids":["https://openalex.org/I51235708"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090274388","display_name":"Nathalie Reuter","orcid":"https://orcid.org/0000-0002-3649-7675"},"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/I4210098902","display_name":"Laboratoire de Chimie Th\u00e9orique","ror":"https://ror.org/00tmb7y09","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I39804081","https://openalex.org/I4210098902","https://openalex.org/I4210128300"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Nathalie Reuter","raw_affiliation_strings":["Laboratoire de Chimie Theorique UMR CNRS 7565, Universit\u00e9 de Nancy I, Domaine Scientifique Victor Grignard, B.P. 239, 54506, Vandoeuvre les Nancy Cedex, France","Laboratoire de Chimie Theorique UMR CNRS 7565, Universit\u00e9 de Nancy I, Vandoeuvre les Nancy Cedex, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratoire de Chimie Theorique UMR CNRS 7565, Universit\u00e9 de Nancy I, Domaine Scientifique Victor Grignard, B.P. 239, 54506, Vandoeuvre les Nancy Cedex, France","institution_ids":["https://openalex.org/I4210098902","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"Laboratoire de Chimie Theorique UMR CNRS 7565, Universit\u00e9 de Nancy I, Vandoeuvre les Nancy Cedex, France","institution_ids":["https://openalex.org/I4210098902","https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010550163","display_name":"Andr\u00e9 Melo","orcid":"https://orcid.org/0000-0001-6455-7834"},"institutions":[{"id":"https://openalex.org/I182534213","display_name":"Universidade do Porto","ror":"https://ror.org/043pwc612","country_code":"PT","type":"education","lineage":["https://openalex.org/I182534213"]},{"id":"https://openalex.org/I4210138594","display_name":"Rede de Qu\u00edmica e Tecnologia","ror":"https://ror.org/04j14t006","country_code":"PT","type":"nonprofit","lineage":["https://openalex.org/I4210138594"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"Andr\u00e9 Melo","raw_affiliation_strings":["CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007, Porto, Portugal","Cequp/Departamento de Quimica, Faculdade de Ci\u00eancias, Universidade do Porto, Porto, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007, Porto, Portugal","institution_ids":["https://openalex.org/I182534213","https://openalex.org/I4210138594"]},{"raw_affiliation_string":"Cequp/Departamento de Quimica, Faculdade de Ci\u00eancias, Universidade do Porto, Porto, Portugal","institution_ids":["https://openalex.org/I182534213"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089201966","display_name":"David Brown","orcid":"https://orcid.org/0000-0002-8360-9721"},"institutions":[{"id":"https://openalex.org/I70900168","display_name":"Universit\u00e9 Savoie Mont Blanc","ror":"https://ror.org/04gqg1a07","country_code":"FR","type":"education","lineage":["https://openalex.org/I70900168"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"David Brown","raw_affiliation_strings":["LMOPS, B\u00e2t. IUT, Universit\u00e9 de Savoie, Campus Scientifique, Savoie Technolac, 73376, Le Bourget du Lac, France","LMOPS, B\u00e2t. IUT, Universit\u00e9 de Savoie, Le Bourget du Lac, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"LMOPS, B\u00e2t. IUT, Universit\u00e9 de Savoie, Campus Scientifique, Savoie Technolac, 73376, Le Bourget du Lac, France","institution_ids":["https://openalex.org/I70900168"]},{"raw_affiliation_string":"LMOPS, B\u00e2t. IUT, Universit\u00e9 de Savoie, Le Bourget du Lac, France","institution_ids":["https://openalex.org/I70900168"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022081836","display_name":"J.A.N.F. Gomes","orcid":"https://orcid.org/0000-0002-5469-9449"},"institutions":[{"id":"https://openalex.org/I182534213","display_name":"Universidade do Porto","ror":"https://ror.org/043pwc612","country_code":"PT","type":"education","lineage":["https://openalex.org/I182534213"]},{"id":"https://openalex.org/I4210138594","display_name":"Rede de Qu\u00edmica e Tecnologia","ror":"https://ror.org/04j14t006","country_code":"PT","type":"nonprofit","lineage":["https://openalex.org/I4210138594"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 A.N.F. Gomes","raw_affiliation_strings":["CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007, Porto, Portugal","Cequp/Departamento de Quimica, Faculdade de Ci\u00eancias, Universidade do Porto, Porto, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007, Porto, Portugal","institution_ids":["https://openalex.org/I182534213","https://openalex.org/I4210138594"]},{"raw_affiliation_string":"Cequp/Departamento de Quimica, Faculdade de Ci\u00eancias, Universidade do Porto, Porto, Portugal","institution_ids":["https://openalex.org/I182534213"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037019808","display_name":"Bernard Maigret","orcid":"https://orcid.org/0000-0002-1983-1950"},"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/I4210098902","display_name":"Laboratoire de Chimie Th\u00e9orique","ror":"https://ror.org/00tmb7y09","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I39804081","https://openalex.org/I4210098902","https://openalex.org/I4210128300"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Bernard Maigret","raw_affiliation_strings":["Laboratoire de Chimie Theorique UMR CNRS 7565, Universit\u00e9 de Nancy I, Domaine Scientifique Victor Grignard, B.P. 239, 54506, Vandoeuvre les Nancy Cedex, France","Laboratoire de Chimie Theorique UMR CNRS 7565, Universit\u00e9 de Nancy I, Vandoeuvre les Nancy Cedex, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratoire de Chimie Theorique UMR CNRS 7565, Universit\u00e9 de Nancy I, Domaine Scientifique Victor Grignard, B.P. 239, 54506, Vandoeuvre les Nancy Cedex, France","institution_ids":["https://openalex.org/I4210098902","https://openalex.org/I1294671590"]},{"raw_affiliation_string":"Laboratoire de Chimie Theorique UMR CNRS 7565, Universit\u00e9 de Nancy I, Vandoeuvre les Nancy Cedex, France","institution_ids":["https://openalex.org/I4210098902","https://openalex.org/I1294671590"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063102522","display_name":"Marco Ant\u00f4nio Chaer Nascimento","orcid":"https://orcid.org/0000-0002-5655-0576"},"institutions":[{"id":"https://openalex.org/I4210113996","display_name":"Centro Universit\u00e1rio da Cidade","ror":"https://ror.org/032bg8m67","country_code":"BR","type":"education","lineage":["https://openalex.org/I4210113996"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Marco A.C. Nascimento","raw_affiliation_strings":["Instituto de Quimica, Departamento de Fisico-Quimica, Cidade Universitaria, CT Bloco A sala 412, Rio de Janeiro RJ, 21949-900, Brazil","Instituto de Quimica, Departamento de Fisico-Quimica, Cidade Universitaria, Rio de Janeiro RJ, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Instituto de Quimica, Departamento de Fisico-Quimica, Cidade Universitaria, CT Bloco A sala 412, Rio de Janeiro RJ, 21949-900, Brazil","institution_ids":["https://openalex.org/I4210113996"]},{"raw_affiliation_string":"Instituto de Quimica, Departamento de Fisico-Quimica, Cidade Universitaria, Rio de Janeiro RJ, Brazil","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5048088473","display_name":"Maria J. Ramos","orcid":"https://orcid.org/0000-0002-7554-8324"},"institutions":[{"id":"https://openalex.org/I182534213","display_name":"Universidade do Porto","ror":"https://ror.org/043pwc612","country_code":"PT","type":"education","lineage":["https://openalex.org/I182534213"]},{"id":"https://openalex.org/I4210138594","display_name":"Rede de Qu\u00edmica e Tecnologia","ror":"https://ror.org/04j14t006","country_code":"PT","type":"nonprofit","lineage":["https://openalex.org/I4210138594"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"Maria Jo\u00e3o Ramos","raw_affiliation_strings":["CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007, Porto, Portugal","Cequp/Departamento de Quimica, Faculdade de Ci\u00eancias, Universidade do Porto, Porto, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CEQUP/Departamento de Qu\u00edmica, Faculdade de Ci\u00eancias, Universidade do Porto, Rua do Campo Alegre, 687, 4169-007, Porto, Portugal","institution_ids":["https://openalex.org/I182534213","https://openalex.org/I4210138594"]},{"raw_affiliation_string":"Cequp/Departamento de Quimica, Faculdade de Ci\u00eancias, Universidade do Porto, Porto, Portugal","institution_ids":["https://openalex.org/I182534213"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":9,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.2479,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.51927183,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"15","issue":"4","first_page":"309","last_page":"322"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10881","display_name":"Blood Coagulation and Thrombosis Mechanisms","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10881","display_name":"Blood Coagulation and Thrombosis Mechanisms","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11721","display_name":"Blood properties and coagulation","score":0.9927999973297119,"subfield":{"id":"https://openalex.org/subfields/2740","display_name":"Pulmonary and Respiratory Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11280","display_name":"Hemophilia Treatment and Research","score":0.9926000237464905,"subfield":{"id":"https://openalex.org/subfields/2720","display_name":"Hematology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.494989812374115},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4631563723087311},{"id":"https://openalex.org/keywords/coagulation","display_name":"Coagulation","score":0.4141443371772766},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.19270947575569153},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.09362435340881348}],"concepts":[{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.494989812374115},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4631563723087311},{"id":"https://openalex.org/C2778382381","wikidata":"https://www.wikidata.org/wiki/Q179217","display_name":"Coagulation","level":2,"score":0.4141443371772766},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.19270947575569153},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.09362435340881348},{"id":"https://openalex.org/C118552586","wikidata":"https://www.wikidata.org/wiki/Q7867","display_name":"Psychiatry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015956","descriptor_name":"Factor XIIa","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D015956","descriptor_name":"Factor XIIa","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D015956","descriptor_name":"Factor XIIa","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D015956","descriptor_name":"Factor XIIa","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015956","descriptor_name":"Factor XIIa","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015956","descriptor_name":"Factor XIIa","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1023/a:1011128521816","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1011128521816","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:11349814","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11349814","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":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320334779","display_name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","ror":"https://ror.org/00snfqn58"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":26,"referenced_works":["https://openalex.org/W1492679557","https://openalex.org/W1499450468","https://openalex.org/W1523136087","https://openalex.org/W1554074200","https://openalex.org/W1564822583","https://openalex.org/W1590543334","https://openalex.org/W1632031335","https://openalex.org/W1965276310","https://openalex.org/W1970771615","https://openalex.org/W1979046104","https://openalex.org/W1986191025","https://openalex.org/W2004370807","https://openalex.org/W2014981059","https://openalex.org/W2015292449","https://openalex.org/W2028957475","https://openalex.org/W2041349540","https://openalex.org/W2047778356","https://openalex.org/W2055043387","https://openalex.org/W2080729782","https://openalex.org/W2087951932","https://openalex.org/W2095307830","https://openalex.org/W2106882534","https://openalex.org/W2121583438","https://openalex.org/W2122833219","https://openalex.org/W2301338283","https://openalex.org/W4236732171"],"related_works":["https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2382290278","https://openalex.org/W2350741829","https://openalex.org/W2130043461","https://openalex.org/W2530322880","https://openalex.org/W1596801655"],"abstract_inverted_index":null,"counts_by_year":[{"year":2017,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2025-10-10T00:00:00"}
