{"id":"https://openalex.org/W2051655433","doi":"https://doi.org/10.1021/ci8002182","title":"Structure-Based Approach for the Study of Estrogen Receptor Binding Affinity and Subtype Selectivity","display_name":"Structure-Based Approach for the Study of Estrogen Receptor Binding Affinity and Subtype Selectivity","publication_year":2008,"publication_date":"2008-10-21","ids":{"openalex":"https://openalex.org/W2051655433","doi":"https://doi.org/10.1021/ci8002182","mag":"2051655433","pmid":"https://pubmed.ncbi.nlm.nih.gov/18937440"},"language":"en","primary_location":{"id":"doi:10.1021/ci8002182","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci8002182","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://doi.org/10.1021/ci8002182","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5058820649","display_name":"L\u00edvia B. Salum","orcid":null},"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":true,"raw_author_name":"L\u00edvia B. Salum","raw_affiliation_strings":["Laborat\u00f3rio de Qu\u00edmica Medicinal e Computacional, Centro de Biotecnologia Molecular Estrutural, Instituto de F\u00edsica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, Av Trabalhador S\u00e3o-Carlense 400, 13560-970 S\u00e3o Carlos-SP, Brazil"],"affiliations":[{"raw_affiliation_string":"Laborat\u00f3rio de Qu\u00edmica Medicinal e Computacional, Centro de Biotecnologia Molecular Estrutural, Instituto de F\u00edsica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, Av Trabalhador S\u00e3o-Carlense 400, 13560-970 S\u00e3o Carlos-SP, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027017783","display_name":"Igor Polikarpov","orcid":"https://orcid.org/0000-0001-9496-4174"},"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":"Igor Polikarpov","raw_affiliation_strings":["Laborat\u00f3rio de Qu\u00edmica Medicinal e Computacional, Centro de Biotecnologia Molecular Estrutural, Instituto de F\u00edsica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, Av Trabalhador S\u00e3o-Carlense 400, 13560-970 S\u00e3o Carlos-SP, Brazil"],"affiliations":[{"raw_affiliation_string":"Laborat\u00f3rio de Qu\u00edmica Medicinal e Computacional, Centro de Biotecnologia Molecular Estrutural, Instituto de F\u00edsica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, Av Trabalhador S\u00e3o-Carlense 400, 13560-970 S\u00e3o Carlos-SP, Brazil","institution_ids":["https://openalex.org/I17974374"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5012731266","display_name":"Adriano D. Andricopulo","orcid":"https://orcid.org/0000-0002-0457-818X"},"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":"Adriano D. Andricopulo","raw_affiliation_strings":["Laborat\u00f3rio de Qu\u00edmica Medicinal e Computacional, Centro de Biotecnologia Molecular Estrutural, Instituto de F\u00edsica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, Av Trabalhador S\u00e3o-Carlense 400, 13560-970 S\u00e3o Carlos-SP, Brazil"],"affiliations":[{"raw_affiliation_string":"Laborat\u00f3rio de Qu\u00edmica Medicinal e Computacional, Centro de Biotecnologia Molecular Estrutural, Instituto de F\u00edsica de S\u00e3o Carlos, Universidade de S\u00e3o Paulo, Av Trabalhador S\u00e3o-Carlense 400, 13560-970 S\u00e3o Carlos-SP, Brazil","institution_ids":["https://openalex.org/I17974374"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5058820649"],"corresponding_institution_ids":["https://openalex.org/I17974374"],"apc_list":null,"apc_paid":null,"fwci":4.0011,"has_fulltext":false,"cited_by_count":44,"citation_normalized_percentile":{"value":0.93921091,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"48","issue":"11","first_page":"2243","last_page":"2253"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10756","display_name":"Estrogen and related hormone effects","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"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/T10756","display_name":"Estrogen and related hormone effects","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1311","display_name":"Genetics"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9941999912261963,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13736","display_name":"Steroid Chemistry and Biochemistry","score":0.9864000082015991,"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/selectivity","display_name":"Selectivity","score":0.616968035697937},{"id":"https://openalex.org/keywords/estrogen-receptor","display_name":"Estrogen receptor","score":0.612299919128418},{"id":"https://openalex.org/keywords/estrogen","display_name":"Estrogen","score":0.5404682159423828},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5116556286811829},{"id":"https://openalex.org/keywords/estrogen-receptor-beta","display_name":"Estrogen receptor beta","score":0.47075679898262024},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.44613271951675415},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.4426066279411316},{"id":"https://openalex.org/keywords/binding-selectivity","display_name":"Binding selectivity","score":0.44064486026763916},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2952839136123657},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2838783264160156},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.1950669288635254},{"id":"https://openalex.org/keywords/cancer","display_name":"Cancer","score":0.09927821159362793},{"id":"https://openalex.org/keywords/breast-cancer","display_name":"Breast cancer","score":0.09871155023574829}],"concepts":[{"id":"https://openalex.org/C118792377","wikidata":"https://www.wikidata.org/wiki/Q108584245","display_name":"Selectivity","level":3,"score":0.616968035697937},{"id":"https://openalex.org/C84606932","wikidata":"https://www.wikidata.org/wiki/Q416496","display_name":"Estrogen receptor","level":4,"score":0.612299919128418},{"id":"https://openalex.org/C2777164284","wikidata":"https://www.wikidata.org/wiki/Q277954","display_name":"Estrogen","level":2,"score":0.5404682159423828},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5116556286811829},{"id":"https://openalex.org/C96307122","wikidata":"https://www.wikidata.org/wiki/Q15329133","display_name":"Estrogen receptor beta","level":5,"score":0.47075679898262024},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.44613271951675415},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4426066279411316},{"id":"https://openalex.org/C96739231","wikidata":"https://www.wikidata.org/wiki/Q4914025","display_name":"Binding selectivity","level":2,"score":0.44064486026763916},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2952839136123657},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2838783264160156},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.1950669288635254},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.09927821159362793},{"id":"https://openalex.org/C530470458","wikidata":"https://www.wikidata.org/wiki/Q128581","display_name":"Breast cancer","level":3,"score":0.09871155023574829},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":"D005260","descriptor_name":"Female","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005260","descriptor_name":"Female","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005260","descriptor_name":"Female","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":"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":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011960","descriptor_name":"Receptors, Estrogen","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D011960","descriptor_name":"Receptors, Estrogen","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D011960","descriptor_name":"Receptors, Estrogen","qualifier_ui":"Q000145","qualifier_name":"classification","is_major_topic":false},{"descriptor_ui":"D011960","descriptor_name":"Receptors, Estrogen","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011960","descriptor_name":"Receptors, Estrogen","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011960","descriptor_name":"Receptors, Estrogen","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011960","descriptor_name":"Receptors, Estrogen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011960","descriptor_name":"Receptors, Estrogen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011960","descriptor_name":"Receptors, Estrogen","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020845","descriptor_name":"Selective Estrogen Receptor Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D020845","descriptor_name":"Selective Estrogen Receptor Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D020845","descriptor_name":"Selective Estrogen Receptor Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D020845","descriptor_name":"Selective Estrogen Receptor Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020845","descriptor_name":"Selective Estrogen Receptor Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D020845","descriptor_name":"Selective Estrogen Receptor Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D048088","descriptor_name":"Informatics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/ci8002182","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci8002182","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:18937440","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/18937440","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 chemical information and modeling","raw_type":null},{"id":"pmh:001709939","is_oa":true,"landing_page_url":"http://doi.org/10.1021/ci8002182","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,"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":"reponame:Reposit\u00f3rio Institucional da USP (Biblioteca Digital da Produ\u00e7\u00e3o Intelectual)","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:www.producao.usp.br:BDPI/29996","is_oa":false,"landing_page_url":"http://producao.usp.br/handle/BDPI/29996","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,"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"}],"best_oa_location":{"id":"pmh:001709939","is_oa":true,"landing_page_url":"http://doi.org/10.1021/ci8002182","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,"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":"reponame:Reposit\u00f3rio Institucional da USP (Biblioteca Digital da Produ\u00e7\u00e3o Intelectual)","raw_type":"info:eu-repo/semantics/publishedVersion"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/10","display_name":"Reduced inequalities","score":0.7099999785423279}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":65,"referenced_works":["https://openalex.org/W265875128","https://openalex.org/W1543604915","https://openalex.org/W1965612834","https://openalex.org/W1967004474","https://openalex.org/W1968817908","https://openalex.org/W1974087398","https://openalex.org/W1975740303","https://openalex.org/W1977899779","https://openalex.org/W1978878757","https://openalex.org/W1981306061","https://openalex.org/W1983057459","https://openalex.org/W1993592714","https://openalex.org/W1997834437","https://openalex.org/W1999987139","https://openalex.org/W2002579690","https://openalex.org/W2003685376","https://openalex.org/W2007653387","https://openalex.org/W2016908879","https://openalex.org/W2020658832","https://openalex.org/W2023314887","https://openalex.org/W2024842998","https://openalex.org/W2032288499","https://openalex.org/W2034799822","https://openalex.org/W2035035284","https://openalex.org/W2043266982","https://openalex.org/W2043652943","https://openalex.org/W2049868664","https://openalex.org/W2049970571","https://openalex.org/W2052641828","https://openalex.org/W2054822444","https://openalex.org/W2058426926","https://openalex.org/W2062708892","https://openalex.org/W2064365667","https://openalex.org/W2067290645","https://openalex.org/W2069107763","https://openalex.org/W2070907292","https://openalex.org/W2073883348","https://openalex.org/W2076129539","https://openalex.org/W2077448555","https://openalex.org/W2077569843","https://openalex.org/W2080653934","https://openalex.org/W2082364443","https://openalex.org/W2084818336","https://openalex.org/W2086895013","https://openalex.org/W2091256192","https://openalex.org/W2094362822","https://openalex.org/W2098010773","https://openalex.org/W2100268373","https://openalex.org/W2111714831","https://openalex.org/W2124632453","https://openalex.org/W2125260355","https://openalex.org/W2125624687","https://openalex.org/W2135278339","https://openalex.org/W2136139793","https://openalex.org/W2144728687","https://openalex.org/W2148979187","https://openalex.org/W2151888740","https://openalex.org/W2158741231","https://openalex.org/W2159089057","https://openalex.org/W2161623422","https://openalex.org/W2167384420","https://openalex.org/W2187452737","https://openalex.org/W2465421918","https://openalex.org/W4254152438","https://openalex.org/W4367331695"],"related_works":["https://openalex.org/W2364285896","https://openalex.org/W2087504465","https://openalex.org/W3010551324","https://openalex.org/W4252776767","https://openalex.org/W2171150728","https://openalex.org/W1982850748","https://openalex.org/W2028354452","https://openalex.org/W200925908","https://openalex.org/W3209895153","https://openalex.org/W2117019370"],"abstract_inverted_index":{"Estrogens":[0],"exert":[1],"important":[2],"physiological":[3],"effects":[4],"through":[5],"the":[6,21,52,56,71,128,132,144,152,186,190,207,218],"modulation":[7],"of":[8,26,83,98,131,188,220],"two":[9,72],"human":[10],"estrogen":[11],"receptor":[12,48],"(hER)":[13],"subtypes,":[14,73],"alpha":[15],"(hERalpha)":[16],"and":[17,23,28,58,112,143,172,203,206],"beta":[18],"(hERbeta).":[19],"Because":[20],"levels":[22],"relative":[24],"proportion":[25],"hERalpha":[27,111,171],"hERbeta":[29,173],"differ":[30],"significantly":[31],"in":[32,148,161,196],"different":[33],"target":[34,40],"cells,":[35],"selective":[36],"hER":[37,100,156,197,222],"ligands":[38],"could":[39],"specific":[41],"tissues":[42],"or":[43],"pathways":[44],"regulated":[45],"by":[46,61],"one":[47,177],"subtype":[49,198],"without":[50],"affecting":[51],"other.":[53],"To":[54],"understand":[55],"structural":[57,193],"chemical":[59],"basis":[60],"which":[62,103],"small":[63],"molecule":[64],"modulators":[65,223],"are":[66],"able":[67],"to":[68,94,164],"discriminate":[69],"between":[70],"we":[74],"have":[75],"applied":[76,93],"three-dimensional":[77],"target-based":[78],"approaches":[79],"employing":[80],"a":[81,95],"series":[82],"potent":[84],"hER-ligands.":[85],"Comparative":[86],"molecular":[87,166],"field":[88],"analysis":[89],"(CoMFA)":[90],"studies":[91],"were":[92,107,117,137,147,159,174],"data":[96],"set":[97],"81":[99],"modulators,":[101],"for":[102,109,217],"binding":[104],"affinity":[105],"values":[106,146],"collected":[108],"both":[110],"hERbeta.":[113],"Significant":[114],"statistical":[115],"coefficients":[116],"obtained":[118],"(hERalpha,":[119],"q(2)":[120,124],"=":[121,125],"0.76;":[122],"hERbeta,":[123],"0.70),":[126],"indicating":[127],"internal":[129],"consistency":[130],"models.":[133],"The":[134,179,200],"generated":[135],"models":[136,205],"validated":[138],"using":[139,176],"external":[140],"test":[141],"sets,":[142],"predicted":[145],"good":[149],"agreement":[150],"with":[151,185,224],"experimental":[153],"results.":[154],"Five":[155],"crystal":[157],"structures":[158],"used":[160],"GRID/PCA":[162,204],"investigations":[163],"generate":[165],"interaction":[167],"fields":[168],"(MIF)":[169],"maps.":[170],"separated":[175],"factor.":[178],"resulting":[180],"3D":[181,211],"information":[182,208],"was":[183],"integrated":[184],"aim":[187],"revealing":[189],"most":[191],"relevant":[192],"features":[194],"involved":[195],"selectivity.":[199,226],"final":[201],"QSAR":[202],"gathered":[209],"from":[210],"contour":[212],"maps":[213],"should":[214],"be":[215],"useful":[216],"design":[219],"novel":[221],"improved":[225]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2013,"cited_by_count":2}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}
