{"id":"https://openalex.org/W2053244650","doi":"https://doi.org/10.1021/ci2001617","title":"New Aryl Hydrocarbon Receptor Homology Model Targeted To Improve Docking Reliability","display_name":"New Aryl Hydrocarbon Receptor Homology Model Targeted To Improve Docking Reliability","publication_year":2011,"publication_date":"2011-10-10","ids":{"openalex":"https://openalex.org/W2053244650","doi":"https://doi.org/10.1021/ci2001617","mag":"2053244650","pmid":"https://pubmed.ncbi.nlm.nih.gov/21981577"},"language":"en","primary_location":{"id":"doi:10.1021/ci2001617","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2001617","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":"https://www.ncbi.nlm.nih.gov/pmc/articles/3263330","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5083200743","display_name":"Ilaria Motto","orcid":null},"institutions":[{"id":"https://openalex.org/I66752286","display_name":"University of Milano-Bicocca","ror":"https://ror.org/01ynf4891","country_code":"IT","type":"education","lineage":["https://openalex.org/I66752286"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Ilaria Motto","raw_affiliation_strings":["Dipartimento di Scienze dell\u2019Ambiente e del Territorio, Universit\u00e0 degli Studi di Milano-Bicocca, Piazza della Scienza 1, 20126 Milano, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze dell\u2019Ambiente e del Territorio, Universit\u00e0 degli Studi di Milano-Bicocca, Piazza della Scienza 1, 20126 Milano, Italy","institution_ids":["https://openalex.org/I66752286"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009324488","display_name":"Annalisa Bordogna","orcid":null},"institutions":[{"id":"https://openalex.org/I66752286","display_name":"University of Milano-Bicocca","ror":"https://ror.org/01ynf4891","country_code":"IT","type":"education","lineage":["https://openalex.org/I66752286"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Annalisa Bordogna","raw_affiliation_strings":["Dipartimento di Scienze dell\u2019Ambiente e del Territorio, Universit\u00e0 degli Studi di Milano-Bicocca, Piazza della Scienza 1, 20126 Milano, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze dell\u2019Ambiente e del Territorio, Universit\u00e0 degli Studi di Milano-Bicocca, Piazza della Scienza 1, 20126 Milano, Italy","institution_ids":["https://openalex.org/I66752286"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068673306","display_name":"Anatoly A. Soshilov","orcid":null},"institutions":[{"id":"https://openalex.org/I84218800","display_name":"University of California, Davis","ror":"https://ror.org/05rrcem69","country_code":"US","type":"education","lineage":["https://openalex.org/I84218800"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Anatoly A. Soshilov","raw_affiliation_strings":["Department of Environmental Toxicology, Meyer Hall, University of California, Davis, California 95616, United States","Department of Environmental Toxicology, Meyer Hall, University of California , Davis, California 95616, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Environmental Toxicology, Meyer Hall, University of California, Davis, California 95616, United States","institution_ids":["https://openalex.org/I84218800"]},{"raw_affiliation_string":"Department of Environmental Toxicology, Meyer Hall, University of California , Davis, California 95616, United States","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051447398","display_name":"Michael S. Denison","orcid":"https://orcid.org/0000-0002-3781-2497"},"institutions":[{"id":"https://openalex.org/I84218800","display_name":"University of California, Davis","ror":"https://ror.org/05rrcem69","country_code":"US","type":"education","lineage":["https://openalex.org/I84218800"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael S. Denison","raw_affiliation_strings":["Department of Environmental Toxicology, Meyer Hall, University of California, Davis, California 95616, United States","Department of Environmental Toxicology, Meyer Hall, University of California , Davis, California 95616, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Environmental Toxicology, Meyer Hall, University of California, Davis, California 95616, United States","institution_ids":["https://openalex.org/I84218800"]},{"raw_affiliation_string":"Department of Environmental Toxicology, Meyer Hall, University of California , Davis, California 95616, United States","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5045019644","display_name":"Laura Bonati","orcid":"https://orcid.org/0000-0003-3028-0368"},"institutions":[{"id":"https://openalex.org/I66752286","display_name":"University of Milano-Bicocca","ror":"https://ror.org/01ynf4891","country_code":"IT","type":"education","lineage":["https://openalex.org/I66752286"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Laura Bonati","raw_affiliation_strings":["Dipartimento di Scienze dell\u2019Ambiente e del Territorio, Universit\u00e0 degli Studi di Milano-Bicocca, Piazza della Scienza 1, 20126 Milano, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze dell\u2019Ambiente e del Territorio, Universit\u00e0 degli Studi di Milano-Bicocca, Piazza della Scienza 1, 20126 Milano, Italy","institution_ids":["https://openalex.org/I66752286"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5083200743"],"corresponding_institution_ids":["https://openalex.org/I66752286"],"apc_list":null,"apc_paid":null,"fwci":2.7425,"has_fulltext":false,"cited_by_count":84,"citation_normalized_percentile":{"value":0.89631864,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"51","issue":"11","first_page":"2868","last_page":"2881"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9922999739646912,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9922999739646912,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10122","display_name":"Toxic Organic Pollutants Impact","score":0.9526000022888184,"subfield":{"id":"https://openalex.org/subfields/2307","display_name":"Health, Toxicology and Mutagenesis"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10324","display_name":"Microbial bioremediation and biosurfactants","score":0.9279000163078308,"subfield":{"id":"https://openalex.org/subfields/2310","display_name":"Pollution"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/aryl-hydrocarbon-receptor","display_name":"Aryl hydrocarbon receptor","score":0.7296674251556396},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.711017370223999},{"id":"https://openalex.org/keywords/homology-modeling","display_name":"Homology modeling","score":0.6799854636192322},{"id":"https://openalex.org/keywords/aryl","display_name":"Aryl","score":0.6046766042709351},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.49031689763069153},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4488966763019562},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.3998265266418457},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.37746405601501465},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.33107537031173706},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.26387476921081543},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.241825133562088},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.18440145254135132},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.18352004885673523},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.08243262767791748},{"id":"https://openalex.org/keywords/veterinary-medicine","display_name":"Veterinary medicine","score":0.07877713441848755},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.06065407395362854}],"concepts":[{"id":"https://openalex.org/C33594762","wikidata":"https://www.wikidata.org/wiki/Q155750","display_name":"Aryl hydrocarbon receptor","level":4,"score":0.7296674251556396},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.711017370223999},{"id":"https://openalex.org/C169627665","wikidata":"https://www.wikidata.org/wiki/Q5767913","display_name":"Homology modeling","level":3,"score":0.6799854636192322},{"id":"https://openalex.org/C2781076698","wikidata":"https://www.wikidata.org/wiki/Q718074","display_name":"Aryl","level":3,"score":0.6046766042709351},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.49031689763069153},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4488966763019562},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3998265266418457},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.37746405601501465},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.33107537031173706},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.26387476921081543},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.241825133562088},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.18440145254135132},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.18352004885673523},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.08243262767791748},{"id":"https://openalex.org/C42972112","wikidata":"https://www.wikidata.org/wiki/Q170201","display_name":"Veterinary medicine","level":1,"score":0.07877713441848755},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.06065407395362854},{"id":"https://openalex.org/C2780263894","wikidata":"https://www.wikidata.org/wiki/Q335268","display_name":"Alkyl","level":2,"score":0.0},{"id":"https://openalex.org/C86339819","wikidata":"https://www.wikidata.org/wiki/Q407384","display_name":"Transcription factor","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000072317","descriptor_name":"Polychlorinated Dibenzodioxins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000099162","descriptor_name":"Endothelial PAS Domain-Containing Protein 1","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":"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":"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":"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":"D001667","descriptor_name":"Binding, Competitive","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001667","descriptor_name":"Binding, Competitive","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001667","descriptor_name":"Binding, Competitive","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001667","descriptor_name":"Binding, Competitive","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001667","descriptor_name":"Binding, Competitive","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002522","descriptor_name":"Chlorocebus aethiops","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002522","descriptor_name":"Chlorocebus aethiops","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002522","descriptor_name":"Chlorocebus aethiops","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002522","descriptor_name":"Chlorocebus aethiops","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002522","descriptor_name":"Chlorocebus aethiops","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":"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":"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":"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":"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":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009154","descriptor_name":"Mutation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010957","descriptor_name":"Plasmids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010957","descriptor_name":"Plasmids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010957","descriptor_name":"Plasmids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010957","descriptor_name":"Plasmids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010957","descriptor_name":"Plasmids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011994","descriptor_name":"Recombinant Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014162","descriptor_name":"Transfection","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014162","descriptor_name":"Transfection","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014162","descriptor_name":"Transfection","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014162","descriptor_name":"Transfection","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014162","descriptor_name":"Transfection","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015870","descriptor_name":"Gene Expression","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015870","descriptor_name":"Gene Expression","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015870","descriptor_name":"Gene Expression","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015870","descriptor_name":"Gene Expression","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015870","descriptor_name":"Gene Expression","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016297","descriptor_name":"Mutagenesis, Site-Directed","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016297","descriptor_name":"Mutagenesis, Site-Directed","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016297","descriptor_name":"Mutagenesis, Site-Directed","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016297","descriptor_name":"Mutagenesis, Site-Directed","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016297","descriptor_name":"Mutagenesis, Site-Directed","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018257","descriptor_name":"Helix-Loop-Helix Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018257","descriptor_name":"Helix-Loop-Helix Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018257","descriptor_name":"Helix-Loop-Helix Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018257","descriptor_name":"Helix-Loop-Helix Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018257","descriptor_name":"Helix-Loop-Helix Motifs","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D018336","descriptor_name":"Receptors, Aryl Hydrocarbon","qualifier_ui":"Q000819","qualifier_name":"agonists","is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019556","descriptor_name":"COS Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019556","descriptor_name":"COS Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019556","descriptor_name":"COS Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019556","descriptor_name":"COS Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019556","descriptor_name":"COS Cells","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D024202","descriptor_name":"Electrophoretic Mobility Shift Assay","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D024202","descriptor_name":"Electrophoretic Mobility Shift Assay","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D024202","descriptor_name":"Electrophoretic Mobility Shift Assay","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D024202","descriptor_name":"Electrophoretic Mobility Shift Assay","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D024202","descriptor_name":"Electrophoretic Mobility Shift Assay","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Proteins","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D051792","descriptor_name":"Basic Helix-Loop-Helix Transcription Factors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/ci2001617","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci2001617","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:21981577","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21981577","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:oai:boa.unimib.it:10281/26473","is_oa":false,"landing_page_url":"http://hdl.handle.net/10281/26473","pdf_url":null,"source":{"id":"https://openalex.org/S4306401259","display_name":"BOA (University of Milano-Bicocca)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I66752286","host_organization_name":"University of Milano-Bicocca","host_organization_lineage":["https://openalex.org/I66752286"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:pubmedcentral.nih.gov:3263330","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3263330","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:3263330","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3263330","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/6","score":0.5299999713897705,"display_name":"Clean water and sanitation"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":74,"referenced_works":["https://openalex.org/W46667506","https://openalex.org/W585462166","https://openalex.org/W1511999067","https://openalex.org/W1521042556","https://openalex.org/W1537989154","https://openalex.org/W1577296862","https://openalex.org/W1914385491","https://openalex.org/W1935479846","https://openalex.org/W1964434725","https://openalex.org/W1965830185","https://openalex.org/W1974212746","https://openalex.org/W1977588299","https://openalex.org/W1977933611","https://openalex.org/W1980374511","https://openalex.org/W1980552888","https://openalex.org/W1981207136","https://openalex.org/W1985588649","https://openalex.org/W1985754063","https://openalex.org/W1986191025","https://openalex.org/W1989339622","https://openalex.org/W1992192767","https://openalex.org/W1996524127","https://openalex.org/W1997733493","https://openalex.org/W1999613945","https://openalex.org/W2005817231","https://openalex.org/W2006197769","https://openalex.org/W2009423060","https://openalex.org/W2009529127","https://openalex.org/W2026141986","https://openalex.org/W2036593291","https://openalex.org/W2038092360","https://openalex.org/W2047730466","https://openalex.org/W2051435997","https://openalex.org/W2052993129","https://openalex.org/W2056760934","https://openalex.org/W2058141882","https://openalex.org/W2061865181","https://openalex.org/W2063831812","https://openalex.org/W2064118723","https://openalex.org/W2065283382","https://openalex.org/W2067835167","https://openalex.org/W2067889294","https://openalex.org/W2075683381","https://openalex.org/W2077776336","https://openalex.org/W2078106134","https://openalex.org/W2081410156","https://openalex.org/W2083831110","https://openalex.org/W2084767672","https://openalex.org/W2089837509","https://openalex.org/W2102377211","https://openalex.org/W2106154817","https://openalex.org/W2107312924","https://openalex.org/W2111143975","https://openalex.org/W2114520383","https://openalex.org/W2118258049","https://openalex.org/W2121895929","https://openalex.org/W2128607364","https://openalex.org/W2130538892","https://openalex.org/W2131366727","https://openalex.org/W2131691673","https://openalex.org/W2133972226","https://openalex.org/W2139942857","https://openalex.org/W2145722722","https://openalex.org/W2146264973","https://openalex.org/W2147140209","https://openalex.org/W2150070004","https://openalex.org/W2153125207","https://openalex.org/W2162067613","https://openalex.org/W2164210517","https://openalex.org/W2170025066","https://openalex.org/W2581277592","https://openalex.org/W2885678563","https://openalex.org/W2905312052","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2130031978","https://openalex.org/W2090149287","https://openalex.org/W2050366220","https://openalex.org/W3043724143","https://openalex.org/W2336465572","https://openalex.org/W2399953650","https://openalex.org/W3197423116","https://openalex.org/W1966343877","https://openalex.org/W2423377342","https://openalex.org/W1974734322"],"abstract_inverted_index":{"The":[0],"aryl":[1],"hydrocarbon":[2],"receptor":[3],"(AhR)":[4],"is":[5,214],"a":[6,59,205,229],"ligand-dependent,":[7],"basic":[8],"helix-loop-helix":[9],"Per-ARNT-Sim":[10],"(PAS)":[11],"containing":[12],"transcription":[13],"factor":[14,70],"that":[15,110],"can":[16],"bind":[17,100],"and":[18,46,108,152,161,166,204,224],"be":[19],"activated":[20],"by":[21,147,167,217],"structurally":[22],"diverse":[23],"chemicals,":[24],"including":[25],"the":[26,38,68,79,82,92,102,117,120,134,141,150,153,164,177,180,184,187,192,219,222],"toxic":[27],"environmental":[28],"contaminant":[29],"2,3,7,8-tetrachlorodibenzo-p-dioxin":[30],"(TCDD).":[31],"As":[32],"no":[33],"experimentally":[34,90],"determined":[35],"structures":[36,66,123],"of":[37,67,81,94,119,137,149,157,179,186,195,199,208,228,231],"AhR":[39,113,138],"ligand":[40],"binding":[41,83,135,155,226],"domain":[42],"(LBD)":[43],"are":[44,112],"available":[45],"previous":[47],"homology":[48],"models":[49],"were":[50],"only":[51],"derived":[52],"from":[53],"apo":[54],"template":[55],"structures,":[56],"we":[57],"developed":[58],"new":[60],"model":[61],"based":[62],"on":[63,176],"holo":[64,121],"X-ray":[65],"hypoxia-inducible":[69],"2\u03b1":[71],"(HIF-2\u03b1)":[72],"PAS":[73],"B":[74],"domain,":[75],"targeted":[76],"to":[77,99,101,132,190],"improve":[78],"accuracy":[80],"site":[84],"for":[85,163,197],"molecular":[86],"docking":[87],"applications.":[88],"We":[89],"confirmed":[91],"ability":[93,185],"two":[95],"HIF-2\u03b1":[96,122],"crystallographic":[97],"ligands":[98,139,160],"mAhR":[103,165,173],"with":[104],"relatively":[105],"high":[106],"affinity":[107],"demonstrated":[109],"they":[111],"agonists,":[114],"thus":[115],"justifying":[116],"use":[118],"as":[124],"templates.":[125],"A":[126],"specific":[127],"modeling/docking":[128],"approach":[129,189],"was":[130,145,202],"proposed":[131,188],"predict":[133],"modes":[136],"in":[140,211],"modeled":[142],"LBD.":[143],"It":[144],"validated":[146],"comparison":[148],"calculated":[151,223],"experimental":[154,225],"affinities":[156,194,227],"active":[158],"THS":[159],"TCDD":[162,196],"functional":[168],"activity":[169],"analysis":[170],"using":[171],"several":[172],"mutants":[174],"generated":[175],"basis":[178],"modeling":[181],"results.":[182],"Finally":[183],"reproduce":[191],"different":[193,200],"AhRs":[198],"species":[201],"confirmed,":[203],"first":[206],"test":[207],"its":[209],"reliability":[210],"virtual":[212],"screening":[213],"carried":[215],"out":[216],"analyzing":[218],"correlation":[220],"between":[221],"set":[230],"14":[232],"PCDDs.":[233]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":10},{"year":2019,"cited_by_count":7},{"year":2018,"cited_by_count":7},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":9},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":8},{"year":2013,"cited_by_count":8},{"year":2012,"cited_by_count":1}],"updated_date":"2026-05-13T08:25:38.343686","created_date":"2025-10-10T00:00:00"}
