{"id":"https://openalex.org/W1596660788","doi":"https://doi.org/10.1023/a:1020130418084","title":"3D QSAR (COMFA) of a series of potent and highly selective VLA-4 antagonists","display_name":"3D QSAR (COMFA) of a series of potent and highly selective VLA-4 antagonists","publication_year":2002,"publication_date":"2002-03-01","ids":{"openalex":"https://openalex.org/W1596660788","doi":"https://doi.org/10.1023/a:1020130418084","mag":"1596660788","pmid":"https://pubmed.ncbi.nlm.nih.gov/12363218"},"language":"en","primary_location":{"id":"doi:10.1023/a:1020130418084","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1020130418084","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5022553023","display_name":"Juswinder Singh","orcid":null},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Juswinder Singh","raw_affiliation_strings":["Biogen Inc, Cambridge MA 02142, USA","Biogen Inc, Cambridge, MA 02142, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, Cambridge MA 02142, USA","institution_ids":[]},{"raw_affiliation_string":"Biogen Inc, Cambridge, MA 02142, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015253529","display_name":"Herman van Vlijmen","orcid":"https://orcid.org/0000-0002-1915-3141"},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Herman van Vlijmen","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063754200","display_name":"Wen\u2010Cherng Lee","orcid":null},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Wen-Cherng Lee","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088632705","display_name":"Yusheng Liao","orcid":"https://orcid.org/0000-0001-7549-3944"},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yusheng Liao","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110000316","display_name":"Ko\u2010Chung Lin","orcid":null},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ko-Chung Lin","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010842824","display_name":"Humayun S. Ateeq","orcid":null},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Humayun Ateeq","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050894626","display_name":"Julio H. Cuervo","orcid":null},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Julio Cuervo","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063820296","display_name":"Craig Zimmerman","orcid":null},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Craig Zimmerman","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113828525","display_name":"Charles E. Hammond","orcid":null},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Charles Hammond","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080546760","display_name":"Michael Karpusas","orcid":null},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Michael Karpusas","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088188454","display_name":"Rex A. Palmer","orcid":"https://orcid.org/0000-0001-5267-841X"},"institutions":[{"id":"https://openalex.org/I98259816","display_name":"Birkbeck, University of London","ror":"https://ror.org/02mb95055","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I98259816"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Rex Palmer","raw_affiliation_strings":["Dept. of Crystallography, Birkbeck College, University of London, Malet Street, London, WC1E 7HX, U.K","Department of Crystallography Birkbeck College University of London, London, U.K"],"affiliations":[{"raw_affiliation_string":"Dept. of Crystallography, Birkbeck College, University of London, Malet Street, London, WC1E 7HX, U.K","institution_ids":["https://openalex.org/I98259816"]},{"raw_affiliation_string":"Department of Crystallography Birkbeck College University of London, London, U.K","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112021918","display_name":"T. Chattopadhyay","orcid":null},"institutions":[{"id":"https://openalex.org/I98259816","display_name":"Birkbeck, University of London","ror":"https://ror.org/02mb95055","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I98259816"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Tapan Chattopadhyay","raw_affiliation_strings":["Dept. of Crystallography, Birkbeck College, University of London, Malet Street, London, WC1E 7HX, U.K","Department of Crystallography Birkbeck College University of London, London, U.K"],"affiliations":[{"raw_affiliation_string":"Dept. of Crystallography, Birkbeck College, University of London, Malet Street, London, WC1E 7HX, U.K","institution_ids":["https://openalex.org/I98259816"]},{"raw_affiliation_string":"Department of Crystallography Birkbeck College University of London, London, U.K","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5111640515","display_name":"Steven P. Adams","orcid":null},"institutions":[{"id":"https://openalex.org/I1297540436","display_name":"Biogen (United States)","ror":"https://ror.org/02jqkb192","country_code":"US","type":"company","lineage":["https://openalex.org/I1297540436"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Steven P. Adams","raw_affiliation_strings":["Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","Biogen, Inc., Cambridge, USA"],"affiliations":[{"raw_affiliation_string":"Biogen Inc, 12 Cambridge Center, Cambridge, MA02142, USA","institution_ids":["https://openalex.org/I1297540436"]},{"raw_affiliation_string":"Biogen, Inc., Cambridge, USA","institution_ids":["https://openalex.org/I1297540436"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":13,"corresponding_author_ids":["https://openalex.org/A5022553023"],"corresponding_institution_ids":["https://openalex.org/I1297540436"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.5744,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.58841733,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"16","issue":"3","first_page":"201","last_page":"211"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10831","display_name":"Cell Adhesion Molecules Research","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2723","display_name":"Immunology and Allergy"},"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/T10831","display_name":"Cell Adhesion Molecules Research","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2723","display_name":"Immunology and Allergy"},"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/T13326","display_name":"Biochemical and Structural Characterization","score":0.9976000189781189,"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/T12030","display_name":"S100 Proteins and Annexins","score":0.996999979019165,"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":0.7545535564422607},{"id":"https://openalex.org/keywords/peptidomimetic","display_name":"Peptidomimetic","score":0.679189920425415},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6387144327163696},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.6319350600242615},{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.6282426118850708},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.4637952446937561},{"id":"https://openalex.org/keywords/structure\u2013activity-relationship","display_name":"Structure\u2013activity relationship","score":0.4436601996421814},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.4398265480995178},{"id":"https://openalex.org/keywords/biological-activity","display_name":"Biological activity","score":0.4251366853713989},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.4082645773887634},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.3546777367591858},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2398960292339325},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.23265710473060608},{"id":"https://openalex.org/keywords/in-vitro","display_name":"In vitro","score":0.1281147599220276},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.09162092208862305}],"concepts":[{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7545535564422607},{"id":"https://openalex.org/C124790011","wikidata":"https://www.wikidata.org/wiki/Q2069797","display_name":"Peptidomimetic","level":3,"score":0.679189920425415},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6387144327163696},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.6319350600242615},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.6282426118850708},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.4637952446937561},{"id":"https://openalex.org/C193042331","wikidata":"https://www.wikidata.org/wiki/Q1772003","display_name":"Structure\u2013activity relationship","level":3,"score":0.4436601996421814},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.4398265480995178},{"id":"https://openalex.org/C116073593","wikidata":"https://www.wikidata.org/wiki/Q864491","display_name":"Biological activity","level":3,"score":0.4251366853713989},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.4082645773887634},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.3546777367591858},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2398960292339325},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.23265710473060608},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.1281147599220276},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.09162092208862305},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"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":"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":"D008745","descriptor_name":"Methylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008745","descriptor_name":"Methylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008745","descriptor_name":"Methylation","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":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D009842","descriptor_name":"Oligopeptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017076","descriptor_name":"Computer-Aided Design","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":"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":"D039041","descriptor_name":"Integrin alpha4beta1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D039041","descriptor_name":"Integrin alpha4beta1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D039041","descriptor_name":"Integrin alpha4beta1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D039041","descriptor_name":"Integrin alpha4beta1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D039041","descriptor_name":"Integrin alpha4beta1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D039041","descriptor_name":"Integrin alpha4beta1","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D039041","descriptor_name":"Integrin alpha4beta1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D039041","descriptor_name":"Integrin alpha4beta1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D039041","descriptor_name":"Integrin alpha4beta1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D066298","descriptor_name":"In Vitro Techniques","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1023/a:1020130418084","is_oa":false,"landing_page_url":"https://doi.org/10.1023/a:1020130418084","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:12363218","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12363218","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.5600000023841858,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":25,"referenced_works":["https://openalex.org/W205599027","https://openalex.org/W1534591823","https://openalex.org/W1546376686","https://openalex.org/W1549235322","https://openalex.org/W1985106556","https://openalex.org/W1992769276","https://openalex.org/W1995455132","https://openalex.org/W2000006041","https://openalex.org/W2004374847","https://openalex.org/W2011703862","https://openalex.org/W2015745061","https://openalex.org/W2023610452","https://openalex.org/W2046551730","https://openalex.org/W2062443125","https://openalex.org/W2063060349","https://openalex.org/W2070181989","https://openalex.org/W2075002306","https://openalex.org/W2075838162","https://openalex.org/W2078513140","https://openalex.org/W2095953392","https://openalex.org/W2110366281","https://openalex.org/W2152910353","https://openalex.org/W2165149508","https://openalex.org/W2221416409","https://openalex.org/W2305069310"],"related_works":["https://openalex.org/W3185899234","https://openalex.org/W2018226025","https://openalex.org/W2382340815","https://openalex.org/W2998398254","https://openalex.org/W1972650408","https://openalex.org/W2551736466","https://openalex.org/W2440817092","https://openalex.org/W2333629177","https://openalex.org/W1964900819","https://openalex.org/W2070320679"],"abstract_inverted_index":null,"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}