{"id":"https://openalex.org/W2000687814","doi":"https://doi.org/10.1016/j.compbiolchem.2012.06.003","title":"Relationship between global structural parameters and Enzyme Commission hierarchy: Implications for function prediction","display_name":"Relationship between global structural parameters and Enzyme Commission hierarchy: Implications for function prediction","publication_year":2012,"publication_date":"2012-08-24","ids":{"openalex":"https://openalex.org/W2000687814","doi":"https://doi.org/10.1016/j.compbiolchem.2012.06.003","mag":"2000687814","pmid":"https://pubmed.ncbi.nlm.nih.gov/22926016"},"language":"en","primary_location":{"id":"doi:10.1016/j.compbiolchem.2012.06.003","doi":"https://doi.org/10.1016/j.compbiolchem.2012.06.003","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiolchem.2012.06.003","pdf_url":null,"source":{"id":"https://openalex.org/S104924063","display_name":"Computational Biology and Chemistry","issn_l":"1476-9271","issn":["1476-9271","1476-928X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational Biology and Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://www.sciencedirect.com/science/article/pii/S1476927112000448","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5054492506","display_name":"Marcelo Boareto","orcid":"https://orcid.org/0000-0002-9915-6376","observed_orcids":["https://orcid.org/0000-0002-9915-6376"]},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Marcelo Boareto","raw_affiliation_strings":["Departamento de F\u00edsica Geral, Instituto de F\u00edsica, Universidade de S\u00e3o Paulo, SP, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsica Geral, Instituto de F\u00edsica, Universidade de S\u00e3o Paulo, SP, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066373426","display_name":"M. E. B. Yamagishi","orcid":"https://orcid.org/0000-0001-7109-3038","observed_orcids":["https://orcid.org/0000-0001-7109-3038"]},"institutions":[{"id":"https://openalex.org/I4405284356","display_name":"Embrapa Agricultura Digital","ror":"https://ror.org/03d8jng87","country_code":"BR","type":"government","lineage":["https://openalex.org/I199691007","https://openalex.org/I4405284356"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Michel E.B. Yamagishi","raw_affiliation_strings":["Embrapa Inform\u00e1tica Agropecu\u00e1ria, Laborat\u00f3rio Multiusu\u00e1rio de Bioinform\u00e1tica da Embrapa, Campinas, SP, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Embrapa Inform\u00e1tica Agropecu\u00e1ria, Laborat\u00f3rio Multiusu\u00e1rio de Bioinform\u00e1tica da Embrapa, Campinas, SP, Brazil","institution_ids":["https://openalex.org/I4405284356"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045442193","display_name":"Nestor Caticha","orcid":"https://orcid.org/0000-0002-7446-6765","observed_orcids":["https://orcid.org/0000-0002-7446-6765"]},"institutions":[{"id":"https://openalex.org/I17974374","display_name":"Universidade de S\u00e3o Paulo","ror":"https://ror.org/036rp1748","country_code":"BR","type":"education","lineage":["https://openalex.org/I17974374"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Nestor Caticha","raw_affiliation_strings":["Departamento de F\u00edsica Geral, Instituto de F\u00edsica, Universidade de S\u00e3o Paulo, SP, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsica Geral, Instituto de F\u00edsica, Universidade de S\u00e3o Paulo, SP, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5112425518","display_name":"Vitor B. P. Leite","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4405272171","display_name":"Instituto de Bioci\u00eancias, Letras e Ci\u00eancias Exatas, c\u00e2mpus de S\u00e3o Jos\u00e9 do Rio Preto","ror":"https://ror.org/03p7bap06","country_code":"BR","type":"education","lineage":["https://openalex.org/I4405272171","https://openalex.org/I879563668"]},{"id":"https://openalex.org/I879563668","display_name":"Universidade Estadual Paulista (Unesp)","ror":"https://ror.org/00987cb86","country_code":"BR","type":"education","lineage":["https://openalex.org/I879563668"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"Vitor B.P. Leite","raw_affiliation_strings":["Departamento de F\u00edsica, Instituto de Bioci\u00eancias, Letras e Ci\u00eancias Exatas, Universidade Estadual Paulista, S\u00e3o Jos\u00e9 do Rio Preto, SP, Brazil","Departamento de F\u00edsica, Instituto de Bioci\u00eancias, Letras e Ci\u00eancias Exatas, Universidade Estadual Paulista, S\u00e3o Jose do Rio Preto, SP, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsica, Instituto de Bioci\u00eancias, Letras e Ci\u00eancias Exatas, Universidade Estadual Paulista, S\u00e3o Jos\u00e9 do Rio Preto, SP, Brazil","institution_ids":["https://openalex.org/I4405272171","https://openalex.org/I879563668"]},{"raw_affiliation_string":"Departamento de F\u00edsica, Instituto de Bioci\u00eancias, Letras e Ci\u00eancias Exatas, Universidade Estadual Paulista, S\u00e3o Jose do Rio Preto, SP, Brazil","institution_ids":["https://openalex.org/I4405272171","https://openalex.org/I879563668"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5112425518"],"corresponding_institution_ids":["https://openalex.org/I4405272171","https://openalex.org/I879563668"],"apc_list":{"value":3320,"currency":"USD","value_usd":3320},"apc_paid":null,"fwci":0.512,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.5664728,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":97},"biblio":{"volume":"40","issue":null,"first_page":"15","last_page":"19"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.8687000274658203,"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":0.8687000274658203,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.06889999657869339,"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":0.0478999987244606,"subfield":{"id":"https://openalex.org/subfields/1315","display_name":"Structural 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/enzyme-function-prediction","display_name":"enzyme function prediction","score":0.9300000071525574},{"id":"https://openalex.org/keywords/protein-structure","display_name":"protein structure","score":0.49300000071525574},{"id":"https://openalex.org/keywords/relevance-theory","display_name":"relevance theory","score":0.6579999923706055},{"id":"https://openalex.org/keywords/metric-tensor","display_name":"metric tensor","score":0.7310000061988831},{"id":"https://openalex.org/keywords/unsupervised-clustering","display_name":"unsupervised clustering","score":0.902999997138977},{"id":"https://openalex.org/keywords/active-site-amino-acids","display_name":"active site amino acids","score":0.7570000290870667},{"id":"https://openalex.org/keywords/structure-function-relationship","display_name":"structure-function relationship","score":0.5929999947547913}],"concepts":[{"id":"https://openalex.org/C73555534","wikidata":"https://www.wikidata.org/wiki/Q622825","display_name":"Cluster analysis","level":2,"score":0.5895019769668579},{"id":"https://openalex.org/C92835128","wikidata":"https://www.wikidata.org/wiki/Q1277447","display_name":"Hierarchical clustering","level":3,"score":0.5608185529708862},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.5076817274093628},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.475897878408432},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.42372745275497437},{"id":"https://openalex.org/C31170391","wikidata":"https://www.wikidata.org/wiki/Q188619","display_name":"Hierarchy","level":2,"score":0.418532133102417},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.41001877188682556},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4040786325931549},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.38312119245529175},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2861286997795105},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.28359711170196533},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.10351109504699707},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C34447519","wikidata":"https://www.wikidata.org/wiki/Q179522","display_name":"Market economy","level":1,"score":0.0},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013499","descriptor_name":"Surface Properties","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":6,"locations":[{"id":"doi:10.1016/j.compbiolchem.2012.06.003","doi":"https://doi.org/10.1016/j.compbiolchem.2012.06.003","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiolchem.2012.06.003","pdf_url":null,"source":{"id":"https://openalex.org/S104924063","display_name":"Computational Biology and Chemistry","issn_l":"1476-9271","issn":["1476-9271","1476-928X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-1"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computational Biology and Chemistry","raw_type":"journal-article"},{"id":"pmid:22926016","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22926016","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,"listed_in":[],"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":"Computational biology and chemistry","raw_type":"Journal Article"},{"id":"pmh:002323911","doi":null,"is_oa":true,"landing_page_url":"http://www.sciencedirect.com/science/article/pii/S1476927112000448","pdf_url":null,"source":{"id":"https://openalex.org/S4306402641","display_name":"LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Cient\u00edficas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4383465926","host_organization_name":"LA Referencia","host_organization_lineage":["https://openalex.org/I4383465926"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"instacron:USP","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:www.producao.usp.br:BDPI/41232","doi":null,"is_oa":false,"landing_page_url":"http://www.producao.usp.br/handle/BDPI/41232","pdf_url":null,"source":{"id":"https://openalex.org/S4306401373","display_name":"Scientific Electronic Library Online (S\u00e3o Paulo Research Foundation, Latin American and Caribbean Center on Health Sciences Information, Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I2982035970","host_organization_name":"Costa Rican Department of Social Security","host_organization_lineage":["https://openalex.org/I2982035970"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"","raw_type":"article"},{"id":"pmh:oai:acervodigital.unesp.br:11449/22083","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/11449/22083","pdf_url":null,"source":{"id":"https://openalex.org/S4306400256","display_name":"Acervo Digital da Universidade Estadual Paulista (Universidade Estadual Paulista)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210115194","host_organization_name":"Funda\u00e7\u00e3o para o Desenvolvimento da UNESP","host_organization_lineage":["https://openalex.org/I4210115194"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"outro"},{"id":"pmh:oai:repositorio.unesp.br:11449/22083","doi":null,"is_oa":false,"landing_page_url":"http://doi.org/10.1016/j.compbiolchem.2012.06.003","pdf_url":null,"source":{"id":"https://openalex.org/S4377196277","display_name":"UNESP Institutional Repository (S\u00e3o Paulo State University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I879563668","host_organization_name":"Universidade Estadual Paulista (Unesp)","host_organization_lineage":["https://openalex.org/I879563668"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:002323911","doi":null,"is_oa":true,"landing_page_url":"http://www.sciencedirect.com/science/article/pii/S1476927112000448","pdf_url":null,"source":{"id":"https://openalex.org/S4306402641","display_name":"LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Cient\u00edficas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4383465926","host_organization_name":"LA Referencia","host_organization_lineage":["https://openalex.org/I4383465926"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"instacron:USP","raw_type":"info:eu-repo/semantics/publishedVersion"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":31,"referenced_works":["https://openalex.org/W1576043040","https://openalex.org/W1604281503","https://openalex.org/W1967293793","https://openalex.org/W1975341909","https://openalex.org/W1987219907","https://openalex.org/W1991194470","https://openalex.org/W1996392933","https://openalex.org/W2043154233","https://openalex.org/W2049617155","https://openalex.org/W2055903902","https://openalex.org/W2060238374","https://openalex.org/W2060792417","https://openalex.org/W2076264578","https://openalex.org/W2082972649","https://openalex.org/W2085176241","https://openalex.org/W2097891553","https://openalex.org/W2100494857","https://openalex.org/W2111993512","https://openalex.org/W2114886480","https://openalex.org/W2115595474","https://openalex.org/W2121265934","https://openalex.org/W2122854841","https://openalex.org/W2127597332","https://openalex.org/W2136134567","https://openalex.org/W2144729032","https://openalex.org/W2148604640","https://openalex.org/W2149044412","https://openalex.org/W2152705200","https://openalex.org/W2158476854","https://openalex.org/W2160721947","https://openalex.org/W2524993168"],"related_works":["https://openalex.org/W2085176241","https://openalex.org/W2505567344","https://openalex.org/W7100519939","https://openalex.org/W2286138756","https://openalex.org/W2280398167","https://openalex.org/W7015634330","https://openalex.org/W2166575747","https://openalex.org/W7101033300","https://openalex.org/W2892210937","https://openalex.org/W2092750499"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":2}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}
