{"id":"https://openalex.org/W1974924093","doi":"https://doi.org/10.1021/ci900118v","title":"Multitemplate Alignment Method for the Development of a Reliable 3D-QSAR Model for the Analysis of MMP3 Inhibitors","display_name":"Multitemplate Alignment Method for the Development of a Reliable 3D-QSAR Model for the Analysis of MMP3 Inhibitors","publication_year":2009,"publication_date":"2009-06-12","ids":{"openalex":"https://openalex.org/W1974924093","doi":"https://doi.org/10.1021/ci900118v","mag":"1974924093","pmid":"https://pubmed.ncbi.nlm.nih.gov/19522467"},"language":"en","primary_location":{"id":"doi:10.1021/ci900118v","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci900118v","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/I4387152517","display_name":"Instituto Superior T\u00e9cnico","ror":"https://ror.org/03db2by73","country_code":null,"type":"education","lineage":["https://openalex.org/I141596103","https://openalex.org/I4387152517"]},{"id":"https://openalex.org/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]},{"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"]}],"countries":["IT","US"],"is_corresponding":true,"raw_author_name":"Tiziano Tuccinardi","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I84392919","https://openalex.org/I4387152517"]}]},{"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/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]},{"id":"https://openalex.org/I4387152517","display_name":"Instituto Superior T\u00e9cnico","ror":"https://ror.org/03db2by73","country_code":null,"type":"education","lineage":["https://openalex.org/I141596103","https://openalex.org/I4387152517"]}],"countries":["IT","US"],"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, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I84392919","https://openalex.org/I4387152517"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075200018","display_name":"M. Am\u00e9lia Santos","orcid":"https://orcid.org/0000-0002-4069-9368"},"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/I4387152517","display_name":"Instituto Superior T\u00e9cnico","ror":"https://ror.org/03db2by73","country_code":null,"type":"education","lineage":["https://openalex.org/I141596103","https://openalex.org/I4387152517"]},{"id":"https://openalex.org/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]}],"countries":["IT","US"],"is_corresponding":false,"raw_author_name":"M. Am\u00e9lia Santos","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I84392919","https://openalex.org/I4387152517"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5025152279","display_name":"S\u00e9rgio M. Marques","orcid":"https://orcid.org/0000-0002-6281-7505"},"institutions":[{"id":"https://openalex.org/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]},{"id":"https://openalex.org/I4387152517","display_name":"Instituto Superior T\u00e9cnico","ror":"https://ror.org/03db2by73","country_code":null,"type":"education","lineage":["https://openalex.org/I141596103","https://openalex.org/I4387152517"]},{"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"]}],"countries":["IT","US"],"is_corresponding":false,"raw_author_name":"S\u00e9rgio M. Marques","raw_affiliation_strings":["Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I84392919","https://openalex.org/I4387152517"]}]},{"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/I4387152517","display_name":"Instituto Superior T\u00e9cnico","ror":"https://ror.org/03db2by73","country_code":null,"type":"education","lineage":["https://openalex.org/I141596103","https://openalex.org/I4387152517"]},{"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/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]}],"countries":["IT","US"],"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, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I84392919","https://openalex.org/I4387152517"]}]},{"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/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]},{"id":"https://openalex.org/I4387152517","display_name":"Instituto Superior T\u00e9cnico","ror":"https://ror.org/03db2by73","country_code":null,"type":"education","lineage":["https://openalex.org/I141596103","https://openalex.org/I4387152517"]},{"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"]}],"countries":["IT","US"],"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, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I84392919","https://openalex.org/I4387152517"]}]},{"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/I84392919","display_name":"Temple University","ror":"https://ror.org/00kx1jb78","country_code":"US","type":"education","lineage":["https://openalex.org/I84392919"]},{"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/I4387152517","display_name":"Instituto Superior T\u00e9cnico","ror":"https://ror.org/03db2by73","country_code":null,"type":"education","lineage":["https://openalex.org/I141596103","https://openalex.org/I4387152517"]}],"countries":["IT","US"],"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, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze Farmaceutiche, Universit\u00e0 di Pisa, via Bonanno 6, 56126 Pisa, Italy, Sbarro Institute for Cancer Research and Molecular Medicine, Center for Biotechnology, College of Science and Technology, Temple University, Philadelphia, Pennsylvania 19122, and Centro de Qu\u00edmica Estrutural, Instituto Superior T\u00e9cnico, Rua Rovisco Pais 1, 1049-001 Lisboa, Portugal","institution_ids":["https://openalex.org/I108290504","https://openalex.org/I84392919","https://openalex.org/I4387152517"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5003958577"],"corresponding_institution_ids":["https://openalex.org/I108290504","https://openalex.org/I4387152517","https://openalex.org/I84392919"],"apc_list":null,"apc_paid":null,"fwci":0.2896,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.5921536,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"49","issue":"7","first_page":"1715","last_page":"1724"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12505","display_name":"Peptidase Inhibition and Analysis","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T12505","display_name":"Peptidase Inhibition and Analysis","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"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/T10620","display_name":"Protease and Inhibitor Mechanisms","score":0.9941999912261963,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"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/T12620","display_name":"Signaling Pathways in Disease","score":0.9911999702453613,"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/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.8989514112472534},{"id":"https://openalex.org/keywords/mmp3","display_name":"MMP3","score":0.8171838521957397},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.48844948410987854},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.45259973406791687},{"id":"https://openalex.org/keywords/3d-model","display_name":"3d model","score":0.4454371929168701},{"id":"https://openalex.org/keywords/applicability-domain","display_name":"Applicability domain","score":0.43720743060112},{"id":"https://openalex.org/keywords/training-set","display_name":"Training set","score":0.4124346971511841},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.323373019695282},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.25475457310676575},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2173965573310852},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.06735479831695557},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.0478154718875885}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.8989514112472534},{"id":"https://openalex.org/C2779295440","wikidata":"https://www.wikidata.org/wiki/Q21114943","display_name":"MMP3","level":4,"score":0.8171838521957397},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.48844948410987854},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.45259973406791687},{"id":"https://openalex.org/C3019007443","wikidata":"https://www.wikidata.org/wiki/Q568742","display_name":"3d model","level":2,"score":0.4454371929168701},{"id":"https://openalex.org/C107908354","wikidata":"https://www.wikidata.org/wiki/Q4781456","display_name":"Applicability domain","level":3,"score":0.43720743060112},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.4124346971511841},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.323373019695282},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.25475457310676575},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2173965573310852},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.06735479831695557},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0478154718875885},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C150194340","wikidata":"https://www.wikidata.org/wiki/Q26972","display_name":"Gene expression","level":3,"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":"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":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","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":"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":"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":"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":"D019278","descriptor_name":"Matrix Metalloproteinase 3","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019278","descriptor_name":"Matrix Metalloproteinase 3","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019278","descriptor_name":"Matrix Metalloproteinase 3","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D019278","descriptor_name":"Matrix Metalloproteinase 3","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019278","descriptor_name":"Matrix Metalloproteinase 3","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019278","descriptor_name":"Matrix Metalloproteinase 3","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":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D061965","descriptor_name":"Matrix Metalloproteinase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D061965","descriptor_name":"Matrix Metalloproteinase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D061965","descriptor_name":"Matrix Metalloproteinase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/ci900118v","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci900118v","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:19522467","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19522467","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:arpi.unipi.it:11568/196529","is_oa":false,"landing_page_url":"http://hdl.handle.net/11568/196529","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"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":46,"referenced_works":["https://openalex.org/W1963735212","https://openalex.org/W1985236584","https://openalex.org/W1989700814","https://openalex.org/W1995627555","https://openalex.org/W1998260605","https://openalex.org/W2002755329","https://openalex.org/W2004128245","https://openalex.org/W2006575063","https://openalex.org/W2014265741","https://openalex.org/W2018248686","https://openalex.org/W2019013946","https://openalex.org/W2019263501","https://openalex.org/W2019464399","https://openalex.org/W2023020423","https://openalex.org/W2023981237","https://openalex.org/W2028807447","https://openalex.org/W2041388184","https://openalex.org/W2045619567","https://openalex.org/W2049292532","https://openalex.org/W2050034660","https://openalex.org/W2053723148","https://openalex.org/W2056386121","https://openalex.org/W2060095573","https://openalex.org/W2064342065","https://openalex.org/W2069987788","https://openalex.org/W2075186867","https://openalex.org/W2079756377","https://openalex.org/W2080894326","https://openalex.org/W2083721887","https://openalex.org/W2084349672","https://openalex.org/W2091528698","https://openalex.org/W2093554522","https://openalex.org/W2096238653","https://openalex.org/W2098076093","https://openalex.org/W2103412354","https://openalex.org/W2125524835","https://openalex.org/W2130479394","https://openalex.org/W2139158829","https://openalex.org/W2146001893","https://openalex.org/W2161117897","https://openalex.org/W2168796376","https://openalex.org/W2174553737","https://openalex.org/W2199235416","https://openalex.org/W2210383985","https://openalex.org/W2212089270","https://openalex.org/W2394674621"],"related_works":["https://openalex.org/W2746158299","https://openalex.org/W1969085205","https://openalex.org/W1977382278","https://openalex.org/W2090257471","https://openalex.org/W1970841929","https://openalex.org/W3005120176","https://openalex.org/W2309296013","https://openalex.org/W2985099987","https://openalex.org/W2033669961","https://openalex.org/W2083497194"],"abstract_inverted_index":{"A":[0,54],"ligand-based":[1,47],"3D-QSAR":[2,48,70,85,116],"study":[3,125],"for":[4,91],"the":[5,32,46,65,69,84,105,113,124,137,147],"identification":[6],"of":[7,19,31,59,68,111,115,126,139,149],"MMP3":[8,28,61,92,131,152],"inhibitors":[9,62],"was":[10],"developed":[11],"by":[12,83],"applying":[13],"an":[14,133],"innovative":[15],"alignment":[16,42,107],"method":[17,43,108],"capable":[18,110],"taking":[20],"into":[21],"account":[22],"information":[23],"obtained":[24,33],"from":[25],"available":[26],"X-ray":[27],"structures.":[29],"Comparison":[30],"model":[34,49,142],"with":[35],"data":[36],"recently":[37],"published":[38],"using":[39],"a":[40],"docking-based":[41],"indicated":[44],"that":[45,104],"provided":[50,95],"better":[51],"predictive":[52,66],"ability.":[53],"second":[55],"external":[56],"test":[57],"set":[58],"106":[60],"further":[63],"confirmed":[64],"ability":[67],"model.":[71],"Finally,":[72],"certain":[73],"iminodiacetyl-based":[74],"hydroxamate-benzenesulfonamide":[75],"conjugates,":[76],"which":[77],"were":[78,87],"predicted":[79],"to":[80,123,146],"be":[81,121,144],"active":[82,151],"model,":[86],"tested":[88],"in":[89],"vitro":[90],"inhibition;":[93],"some":[94],"low":[96],"nanomolar":[97],"activity.":[98],"As":[99],"such,":[100],"our":[101],"results":[102],"suggest":[103],"multitemplate":[106],"is":[109,132],"improving":[112],"quality":[114],"models":[117],"and":[118],"therefore":[119],"could":[120,143],"applied":[122,145],"other":[127],"systems.":[128],"Furthermore,":[129],"since":[130],"important":[134],"target":[135],"toward":[136],"treatment":[138],"arthritis,":[140],"this":[141],"design":[148],"new":[150],"inhibitors.":[153]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":5},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}