{"id":"https://openalex.org/W2028069659","doi":"https://doi.org/10.1007/bf00134177","title":"Tautomerism of xanthine and alloxanthine: A model for substrate recognition by xanthine oxidase","display_name":"Tautomerism of xanthine and alloxanthine: A model for substrate recognition by xanthine oxidase","publication_year":1996,"publication_date":"1996-12-01","ids":{"openalex":"https://openalex.org/W2028069659","doi":"https://doi.org/10.1007/bf00134177","mag":"2028069659","pmid":"https://pubmed.ncbi.nlm.nih.gov/9007687"},"language":"en","primary_location":{"id":"doi:10.1007/bf00134177","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00134177","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/A5097639128","display_name":"Rego\ufffda Hern\ufffdndez","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Rego\ufffda Hern\ufffdndez","raw_affiliation_strings":[],"affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006399866","display_name":"Modesto Orozco","orcid":"https://orcid.org/0000-0002-8608-3278"},"institutions":[{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Modesto Orozco","raw_affiliation_strings":["Department of Biochemistry and Molecular Biology, Faculty of Chemistry, University of Barcelona, Martl i Franqu\u00e8s 1, E-08028, Barcelona, Spain","Department of Biochemistry and Molecular Biology, Faculty of Chemistry, University of Barcelona, Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Molecular Biology, Faculty of Chemistry, University of Barcelona, Martl i Franqu\u00e8s 1, E-08028, Barcelona, Spain","institution_ids":["https://openalex.org/I71999127"]},{"raw_affiliation_string":"Department of Biochemistry and Molecular Biology, Faculty of Chemistry, University of Barcelona, Barcelona, Spain","institution_ids":["https://openalex.org/I71999127"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5058817123","display_name":"F. Javier Luque","orcid":"https://orcid.org/0000-0002-8049-3567"},"institutions":[{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Francisco J. Luque","raw_affiliation_strings":["Department of Pharmacy, Section Physical Chemistry, Faculty of Pharmacy, University of Barcelona, Avinguda Diagonal sln, E-08028, Barcelona, Spain","Department of Pharmacy, Section Physical Chemistry, Faculty of Pharmacy, University of Barcelona, Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacy, Section Physical Chemistry, Faculty of Pharmacy, University of Barcelona, Avinguda Diagonal sln, E-08028, Barcelona, Spain","institution_ids":["https://openalex.org/I71999127"]},{"raw_affiliation_string":"Department of Pharmacy, Section Physical Chemistry, Faculty of Pharmacy, University of Barcelona, Barcelona, Spain","institution_ids":["https://openalex.org/I71999127"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5097639128"],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":1.3562,"has_fulltext":false,"cited_by_count":32,"citation_normalized_percentile":{"value":0.76767045,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"10","issue":"6","first_page":"535","last_page":"544"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10532","display_name":"Molecular Sensors and Ion Detection","score":0.9933000206947327,"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/T10532","display_name":"Molecular Sensors and Ion Detection","score":0.9933000206947327,"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/T10798","display_name":"Crystallography and molecular interactions","score":0.9908999800682068,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"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/T10947","display_name":"Fluorine in Organic Chemistry","score":0.9879000186920166,"subfield":{"id":"https://openalex.org/subfields/3003","display_name":"Pharmaceutical Science"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/tautomer","display_name":"Tautomer","score":0.978022575378418},{"id":"https://openalex.org/keywords/xanthine-oxidase","display_name":"Xanthine oxidase","score":0.8114742040634155},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7555645704269409},{"id":"https://openalex.org/keywords/xanthine","display_name":"Xanthine","score":0.7144379615783691},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.5784030556678772},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.578139066696167},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.48789355158805847},{"id":"https://openalex.org/keywords/gas-phase","display_name":"Gas phase","score":0.479343980550766},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.2974448502063751},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.20767506957054138},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.16540342569351196},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.15339860320091248}],"concepts":[{"id":"https://openalex.org/C111233374","wikidata":"https://www.wikidata.org/wiki/Q334640","display_name":"Tautomer","level":2,"score":0.978022575378418},{"id":"https://openalex.org/C2778102346","wikidata":"https://www.wikidata.org/wiki/Q412509","display_name":"Xanthine oxidase","level":3,"score":0.8114742040634155},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7555645704269409},{"id":"https://openalex.org/C2779470414","wikidata":"https://www.wikidata.org/wiki/Q50980","display_name":"Xanthine","level":3,"score":0.7144379615783691},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5784030556678772},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.578139066696167},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.48789355158805847},{"id":"https://openalex.org/C3020013744","wikidata":"https://www.wikidata.org/wiki/Q104837","display_name":"Gas phase","level":2,"score":0.479343980550766},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.2974448502063751},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.20767506957054138},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.16540342569351196},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.15339860320091248}],"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":"D005740","descriptor_name":"Gases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005740","descriptor_name":"Gases","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005740","descriptor_name":"Gases","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":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010117","descriptor_name":"Oxypurinol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010117","descriptor_name":"Oxypurinol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010117","descriptor_name":"Oxypurinol","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013379","descriptor_name":"Substrate Specificity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014969","descriptor_name":"Xanthine Oxidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014969","descriptor_name":"Xanthine Oxidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014969","descriptor_name":"Xanthine Oxidase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014969","descriptor_name":"Xanthine Oxidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014969","descriptor_name":"Xanthine Oxidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014969","descriptor_name":"Xanthine Oxidase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014970","descriptor_name":"Xanthines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014970","descriptor_name":"Xanthines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014970","descriptor_name":"Xanthines","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":"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":"D019820","descriptor_name":"Xanthine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019820","descriptor_name":"Xanthine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019820","descriptor_name":"Xanthine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/bf00134177","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00134177","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:9007687","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/9007687","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":0.699999988079071,"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W158124559","https://openalex.org/W227058489","https://openalex.org/W1500295667","https://openalex.org/W1507625951","https://openalex.org/W1551313737","https://openalex.org/W1555483413","https://openalex.org/W1569780631","https://openalex.org/W1824951714","https://openalex.org/W1928477383","https://openalex.org/W1963737263","https://openalex.org/W1965008095","https://openalex.org/W1967388468","https://openalex.org/W1968354147","https://openalex.org/W1977560548","https://openalex.org/W1977888758","https://openalex.org/W1992378478","https://openalex.org/W2000069249","https://openalex.org/W2009120757","https://openalex.org/W2018653661","https://openalex.org/W2019072994","https://openalex.org/W2023271753","https://openalex.org/W2024786574","https://openalex.org/W2026135858","https://openalex.org/W2032396558","https://openalex.org/W2043560137","https://openalex.org/W2044940178","https://openalex.org/W2045071000","https://openalex.org/W2049500537","https://openalex.org/W2049996223","https://openalex.org/W2068547959","https://openalex.org/W2077973224","https://openalex.org/W2083547109","https://openalex.org/W2091586739","https://openalex.org/W2094642658","https://openalex.org/W2095474273","https://openalex.org/W2110500931","https://openalex.org/W2132425318","https://openalex.org/W2143645404","https://openalex.org/W2143981217","https://openalex.org/W2158810699","https://openalex.org/W2169655552","https://openalex.org/W2204700388","https://openalex.org/W2952748222","https://openalex.org/W6611175285"],"related_works":["https://openalex.org/W2335933507","https://openalex.org/W2045943043","https://openalex.org/W2079378515","https://openalex.org/W2473375054","https://openalex.org/W1538952587","https://openalex.org/W4246884111","https://openalex.org/W2278900353","https://openalex.org/W2412975142","https://openalex.org/W1993856947","https://openalex.org/W2087583909"],"abstract_inverted_index":null,"counts_by_year":[{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2016-06-24T00:00:00"}