{"id":"https://openalex.org/W2212089270","doi":"https://doi.org/10.1021/ci600469w","title":"Analysis of Human Carbonic Anhydrase II: Docking Reliability and Receptor-Based 3D-QSAR Study","display_name":"Analysis of Human Carbonic Anhydrase II: Docking Reliability and Receptor-Based 3D-QSAR Study","publication_year":2007,"publication_date":"2007-02-13","ids":{"openalex":"https://openalex.org/W2212089270","doi":"https://doi.org/10.1021/ci600469w","mag":"2212089270","pmid":"https://pubmed.ncbi.nlm.nih.gov/17295464"},"language":"en","primary_location":{"id":"doi:10.1021/ci600469w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci600469w","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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5003958577","display_name":"Tiziano Tuccinardi","orcid":null},"institutions":[{"id":"https://openalex.org/I108290504","display_name":"University of Pisa","ror":"https://ror.org/03ad39j10","country_code":"IT","type":"education","lineage":["https://openalex.org/I108290504"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Tiziano Tuccinardi","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I45084792"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063190899","display_name":"Elisa Nuti","orcid":"https://orcid.org/0000-0003-2669-5376"},"institutions":[{"id":"https://openalex.org/I108290504","display_name":"University of Pisa","ror":"https://ror.org/03ad39j10","country_code":"IT","type":"education","lineage":["https://openalex.org/I108290504"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Elisa Nuti","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I45084792"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063884019","display_name":"Gabriella Ortore","orcid":"https://orcid.org/0000-0002-1541-6258"},"institutions":[{"id":"https://openalex.org/I108290504","display_name":"University of Pisa","ror":"https://ror.org/03ad39j10","country_code":"IT","type":"education","lineage":["https://openalex.org/I108290504"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Gabriella Ortore","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I45084792"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035013697","display_name":"Claudiu T. Supuran","orcid":"https://orcid.org/0000-0003-4262-0323"},"institutions":[{"id":"https://openalex.org/I108290504","display_name":"University of Pisa","ror":"https://ror.org/03ad39j10","country_code":"IT","type":"education","lineage":["https://openalex.org/I108290504"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Claudiu T. Supuran","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I45084792"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077019372","display_name":"Armando Rossello","orcid":"https://orcid.org/0000-0002-6795-8091"},"institutions":[{"id":"https://openalex.org/I108290504","display_name":"University of Pisa","ror":"https://ror.org/03ad39j10","country_code":"IT","type":"education","lineage":["https://openalex.org/I108290504"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Armando Rossello","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I45084792"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5084587144","display_name":"Adriano Martinelli","orcid":"https://orcid.org/0000-0002-7197-0552"},"institutions":[{"id":"https://openalex.org/I108290504","display_name":"University of Pisa","ror":"https://ror.org/03ad39j10","country_code":"IT","type":"education","lineage":["https://openalex.org/I108290504"]},{"id":"https://openalex.org/I45084792","display_name":"University of Florence","ror":"https://ror.org/04jr1s763","country_code":"IT","type":"education","lineage":["https://openalex.org/I45084792"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Adriano Martinelli","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, and Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Universit\u00e0 degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I45084792"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":2.0138,"has_fulltext":false,"cited_by_count":42,"citation_normalized_percentile":{"value":0.86576606,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"47","issue":"2","first_page":"515","last_page":"525"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12412","display_name":"Enzyme function and inhibition","score":1.0,"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/T12412","display_name":"Enzyme function and inhibition","score":1.0,"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/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.998199999332428,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T12251","display_name":"Synthesis and Catalytic Reactions","score":0.996399998664856,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.9252060651779175},{"id":"https://openalex.org/keywords/carbonic-anhydrase","display_name":"Carbonic anhydrase","score":0.6910420656204224},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6801831722259521},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6524888277053833},{"id":"https://openalex.org/keywords/carbonic-anhydrase-ii","display_name":"Carbonic anhydrase II","score":0.5193389654159546},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.41804391145706177},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.34938791394233704},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2940215468406677},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.2510713040828705},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.14976558089256287},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.0778963565826416}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.9252060651779175},{"id":"https://openalex.org/C2775914622","wikidata":"https://www.wikidata.org/wiki/Q284089","display_name":"Carbonic anhydrase","level":3,"score":0.6910420656204224},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6801831722259521},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6524888277053833},{"id":"https://openalex.org/C2780416268","wikidata":"https://www.wikidata.org/wiki/Q18021049","display_name":"Carbonic anhydrase II","level":4,"score":0.5193389654159546},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.41804391145706177},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.34938791394233704},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2940215468406677},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.2510713040828705},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.14976558089256287},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0778963565826416},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"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":"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":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","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":"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":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","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":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":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000032","qualifier_name":"analysis","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000032","qualifier_name":"analysis","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000032","qualifier_name":"analysis","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D024402","descriptor_name":"Carbonic Anhydrase II","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/ci600469w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci600469w","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:17295464","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17295464","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":"Journal Article"},{"id":"pmh:oai:arpi.unipi.it:11568/183972","is_oa":false,"landing_page_url":"http://hdl.handle.net/11568/183972","pdf_url":null,"source":{"id":"https://openalex.org/S4377196265","display_name":"CINECA IRIS Institutial research information system (University of Pisa)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I108290504","host_organization_name":"University of Pisa","host_organization_lineage":["https://openalex.org/I108290504"],"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"},{"id":"pmh:oai:flore.unifi.it:2158/775984","is_oa":false,"landing_page_url":"http://hdl.handle.net/2158/775984","pdf_url":null,"source":{"id":"https://openalex.org/S4306402033","display_name":"Florence Research (University of Florence)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I45084792","host_organization_name":"University of Florence","host_organization_lineage":["https://openalex.org/I45084792"],"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"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":26,"referenced_works":["https://openalex.org/W1549224984","https://openalex.org/W1969804944","https://openalex.org/W1975117491","https://openalex.org/W1985615649","https://openalex.org/W1987400648","https://openalex.org/W2003937594","https://openalex.org/W2019685673","https://openalex.org/W2031808408","https://openalex.org/W2033002582","https://openalex.org/W2043584024","https://openalex.org/W2045271160","https://openalex.org/W2046203042","https://openalex.org/W2050456292","https://openalex.org/W2083957993","https://openalex.org/W2088895364","https://openalex.org/W2116352175","https://openalex.org/W2119482876","https://openalex.org/W2123097533","https://openalex.org/W2130479394","https://openalex.org/W2155991682","https://openalex.org/W2158534713","https://openalex.org/W2167041509","https://openalex.org/W2176939663","https://openalex.org/W2409016771","https://openalex.org/W4233746703","https://openalex.org/W4242996430"],"related_works":["https://openalex.org/W2172288068","https://openalex.org/W3178245966","https://openalex.org/W1969599525","https://openalex.org/W2588869820","https://openalex.org/W2003609507","https://openalex.org/W2020142163","https://openalex.org/W2065007096","https://openalex.org/W2113127234","https://openalex.org/W4220919479","https://openalex.org/W148523542"],"abstract_inverted_index":{"The":[0,24],"ability":[1],"of":[2,10,50,59,103,124],"Gold":[3],"software":[4],"to":[5,66],"predict":[6,99],"the":[7,38,48,60,68,94,100,122],"binding":[8,101],"disposition":[9],"carbonic":[11],"anhydrase":[12],"(CA)":[13],"inhibitors":[14],"was":[15,27],"evaluated":[16],"using":[17],"CA":[18,34,75,106],"II":[19,35,76,107],"as":[20,43,89],"a":[21,51],"case":[22],"study.":[23,57],"best":[25,39],"procedure":[26],"subsequently":[28],"used":[29,42,119],"for":[30,47,74,121],"docking":[31],"almost":[32],"300":[33],"ligands,":[36],"and":[37,71,92],"poses":[40],"were":[41],"an":[44,81],"alignment":[45],"tool":[46],"development":[49],"3D":[52],"quantitative":[53],"structure-activity":[54],"relationship":[55],"(QSAR)":[56],"Evaluation":[58],"resulting":[61],"3D-QSAR":[62],"model":[63],"allowed":[64],"us":[65],"indicate":[67],"ligand":[69],"properties":[70],"residues":[72],"important":[73,82],"inhibition.":[77],"Since":[78],"CAs":[79],"are":[80],"target":[83],"involved":[84],"in":[85],"many":[86],"pathologies":[87],"such":[88],"glaucoma,":[90],"obesity,":[91],"tumors,":[93],"results":[95],"obtained":[96],"could":[97,116],"accurately":[98],"affinity":[102],"newly":[104],"designed":[105],"inhibitors.":[108],"Furthermore,":[109],"it":[110],"is":[111],"reasonable":[112],"that":[113],"this":[114],"strategy":[115],"be":[117],"profitably":[118],"also":[120],"investigation":[123],"other":[125],"CAs.":[126]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":2}],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2016-06-24T00:00:00"}