{"id":"https://openalex.org/W2080082605","doi":"https://doi.org/10.1007/s10822-008-9254-z","title":"Interactions between cycloguanil derivatives and wild type and resistance-associated mutant Plasmodium falciparum dihydrofolate reductases","display_name":"Interactions between cycloguanil derivatives and wild type and resistance-associated mutant Plasmodium falciparum dihydrofolate reductases","publication_year":2009,"publication_date":"2009-01-20","ids":{"openalex":"https://openalex.org/W2080082605","doi":"https://doi.org/10.1007/s10822-008-9254-z","mag":"2080082605","pmid":"https://pubmed.ncbi.nlm.nih.gov/19156529"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-008-9254-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-008-9254-z","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/A5060670779","display_name":"Phornphimon Maitarad","orcid":null},"institutions":[{"id":"https://openalex.org/I198105771","display_name":"Kasetsart University","ror":"https://ror.org/05gzceg21","country_code":"TH","type":"education","lineage":["https://openalex.org/I198105771"]}],"countries":["TH"],"is_corresponding":true,"raw_author_name":"Phornphimon Maitarad","raw_affiliation_strings":["Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand","Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand","institution_ids":["https://openalex.org/I198105771"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand","institution_ids":["https://openalex.org/I198105771"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091720746","display_name":"Sumalee Kamchonwongpaisan","orcid":"https://orcid.org/0000-0002-4723-5232"},"institutions":[{"id":"https://openalex.org/I902798049","display_name":"National Center for Genetic Engineering and Biotechnology","ror":"https://ror.org/047aswc67","country_code":"TH","type":"facility","lineage":["https://openalex.org/I1332092204","https://openalex.org/I902798049"]},{"id":"https://openalex.org/I1332092204","display_name":"National Science and Technology Development Agency","ror":"https://ror.org/04vy95b61","country_code":"TH","type":"government","lineage":["https://openalex.org/I1332092204"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Sumalee Kamchonwongpaisan","raw_affiliation_strings":["National Center for Genetic Engineering and Biotechnology, National Science and Technology Development Agency, Pathumthani, 12120, Thailand"],"affiliations":[{"raw_affiliation_string":"National Center for Genetic Engineering and Biotechnology, National Science and Technology Development Agency, Pathumthani, 12120, Thailand","institution_ids":["https://openalex.org/I1332092204","https://openalex.org/I902798049"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033137327","display_name":"Jarunee Vanichtanankul","orcid":"https://orcid.org/0000-0003-3431-1467"},"institutions":[{"id":"https://openalex.org/I1332092204","display_name":"National Science and Technology Development Agency","ror":"https://ror.org/04vy95b61","country_code":"TH","type":"government","lineage":["https://openalex.org/I1332092204"]},{"id":"https://openalex.org/I902798049","display_name":"National Center for Genetic Engineering and Biotechnology","ror":"https://ror.org/047aswc67","country_code":"TH","type":"facility","lineage":["https://openalex.org/I1332092204","https://openalex.org/I902798049"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Jarunee Vanichtanankul","raw_affiliation_strings":["National Center for Genetic Engineering and Biotechnology, National Science and Technology Development Agency, Pathumthani, 12120, Thailand"],"affiliations":[{"raw_affiliation_string":"National Center for Genetic Engineering and Biotechnology, National Science and Technology Development Agency, Pathumthani, 12120, Thailand","institution_ids":["https://openalex.org/I1332092204","https://openalex.org/I902798049"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056002165","display_name":"Tirayut Vilaivan","orcid":"https://orcid.org/0000-0002-9184-9506"},"institutions":[{"id":"https://openalex.org/I158708052","display_name":"Chulalongkorn University","ror":"https://ror.org/028wp3y58","country_code":"TH","type":"education","lineage":["https://openalex.org/I158708052"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Tirayut Vilaivan","raw_affiliation_strings":["Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok, 10330, Thailand"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok, 10330, Thailand","institution_ids":["https://openalex.org/I158708052"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060203261","display_name":"Yongyuth Yuthavong","orcid":"https://orcid.org/0000-0002-3582-8401"},"institutions":[{"id":"https://openalex.org/I1332092204","display_name":"National Science and Technology Development Agency","ror":"https://ror.org/04vy95b61","country_code":"TH","type":"government","lineage":["https://openalex.org/I1332092204"]},{"id":"https://openalex.org/I902798049","display_name":"National Center for Genetic Engineering and Biotechnology","ror":"https://ror.org/047aswc67","country_code":"TH","type":"facility","lineage":["https://openalex.org/I1332092204","https://openalex.org/I902798049"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Yongyuth Yuthavong","raw_affiliation_strings":["National Center for Genetic Engineering and Biotechnology, National Science and Technology Development Agency, Pathumthani, 12120, Thailand"],"affiliations":[{"raw_affiliation_string":"National Center for Genetic Engineering and Biotechnology, National Science and Technology Development Agency, Pathumthani, 12120, Thailand","institution_ids":["https://openalex.org/I1332092204","https://openalex.org/I902798049"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5044496694","display_name":"Supa Hannongbua","orcid":"https://orcid.org/0000-0002-9901-4466"},"institutions":[{"id":"https://openalex.org/I198105771","display_name":"Kasetsart University","ror":"https://ror.org/05gzceg21","country_code":"TH","type":"education","lineage":["https://openalex.org/I198105771"]}],"countries":["TH"],"is_corresponding":false,"raw_author_name":"Supa Hannongbua","raw_affiliation_strings":["Center of Nanotechnology, Kasetsart University, Bangkok, 10900, Thailand","Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand"],"affiliations":[{"raw_affiliation_string":"Center of Nanotechnology, Kasetsart University, Bangkok, 10900, Thailand","institution_ids":["https://openalex.org/I198105771"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok, 10900, Thailand","institution_ids":["https://openalex.org/I198105771"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5060670779"],"corresponding_institution_ids":["https://openalex.org/I198105771"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":1.428,"has_fulltext":false,"cited_by_count":19,"citation_normalized_percentile":{"value":0.7991163,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"23","issue":"4","first_page":"241","last_page":"252"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10526","display_name":"HIV/AIDS drug development and treatment","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/T10526","display_name":"HIV/AIDS drug development and treatment","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9944999814033508,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10570","display_name":"Drug Transport and Resistance Mechanisms","score":0.9879999756813049,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/steric-effects","display_name":"Steric effects","score":0.8178551197052002},{"id":"https://openalex.org/keywords/dihydrofolate-reductase","display_name":"Dihydrofolate reductase","score":0.763748288154602},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7391843795776367},{"id":"https://openalex.org/keywords/mutant","display_name":"Mutant","score":0.7292550802230835},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.6782266497612},{"id":"https://openalex.org/keywords/wild-type","display_name":"Wild type","score":0.6075665354728699},{"id":"https://openalex.org/keywords/plasmodium-falciparum","display_name":"Plasmodium falciparum","score":0.5864312648773193},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.5278539657592773},{"id":"https://openalex.org/keywords/residue","display_name":"Residue (chemistry)","score":0.523499071598053},{"id":"https://openalex.org/keywords/active-site","display_name":"Active site","score":0.503776490688324},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4750618636608124},{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.4160543382167816},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.3000192642211914},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11649185419082642}],"concepts":[{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.8178551197052002},{"id":"https://openalex.org/C2781320022","wikidata":"https://www.wikidata.org/wiki/Q417149","display_name":"Dihydrofolate reductase","level":3,"score":0.763748288154602},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7391843795776367},{"id":"https://openalex.org/C143065580","wikidata":"https://www.wikidata.org/wiki/Q3285695","display_name":"Mutant","level":3,"score":0.7292550802230835},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.6782266497612},{"id":"https://openalex.org/C207583985","wikidata":"https://www.wikidata.org/wiki/Q128723","display_name":"Wild type","level":4,"score":0.6075665354728699},{"id":"https://openalex.org/C2778371730","wikidata":"https://www.wikidata.org/wiki/Q311383","display_name":"Plasmodium falciparum","level":3,"score":0.5864312648773193},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.5278539657592773},{"id":"https://openalex.org/C2781338088","wikidata":"https://www.wikidata.org/wiki/Q903495","display_name":"Residue (chemistry)","level":2,"score":0.523499071598053},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.503776490688324},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4750618636608124},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.4160543382167816},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3000192642211914},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11649185419082642},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C2778048844","wikidata":"https://www.wikidata.org/wiki/Q12156","display_name":"Malaria","level":2,"score":0.0},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000962","descriptor_name":"Antimalarials","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000962","descriptor_name":"Antimalarials","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000962","descriptor_name":"Antimalarials","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000962","descriptor_name":"Antimalarials","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000962","descriptor_name":"Antimalarials","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000962","descriptor_name":"Antimalarials","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002727","descriptor_name":"Proguanil","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D002727","descriptor_name":"Proguanil","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D002727","descriptor_name":"Proguanil","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D002727","descriptor_name":"Proguanil","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002727","descriptor_name":"Proguanil","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002727","descriptor_name":"Proguanil","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002727","descriptor_name":"Proguanil","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002727","descriptor_name":"Proguanil","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002727","descriptor_name":"Proguanil","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004351","descriptor_name":"Drug Resistance","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D004351","descriptor_name":"Drug Resistance","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D004351","descriptor_name":"Drug Resistance","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D005493","descriptor_name":"Folic Acid Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005493","descriptor_name":"Folic Acid Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005493","descriptor_name":"Folic Acid Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","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":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D010963","descriptor_name":"Plasmodium falciparum","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D010963","descriptor_name":"Plasmodium falciparum","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D010963","descriptor_name":"Plasmodium falciparum","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D010963","descriptor_name":"Plasmodium falciparum","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D010963","descriptor_name":"Plasmodium falciparum","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D010963","descriptor_name":"Plasmodium falciparum","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D014227","descriptor_name":"Triazines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014227","descriptor_name":"Triazines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014227","descriptor_name":"Triazines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014227","descriptor_name":"Triazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014227","descriptor_name":"Triazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014227","descriptor_name":"Triazines","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":"D019943","descriptor_name":"Amino Acid Substitution","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D019943","descriptor_name":"Amino Acid Substitution","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D019943","descriptor_name":"Amino Acid Substitution","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-008-9254-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-008-9254-z","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:19156529","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19156529","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":0.7599999904632568,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":31,"referenced_works":["https://openalex.org/W1966582916","https://openalex.org/W1968766916","https://openalex.org/W1968852222","https://openalex.org/W1976176203","https://openalex.org/W1978387284","https://openalex.org/W1991206160","https://openalex.org/W2003597358","https://openalex.org/W2018593882","https://openalex.org/W2020456541","https://openalex.org/W2023019005","https://openalex.org/W2029009136","https://openalex.org/W2031082832","https://openalex.org/W2033384259","https://openalex.org/W2035199159","https://openalex.org/W2042407915","https://openalex.org/W2047112781","https://openalex.org/W2060756462","https://openalex.org/W2061033196","https://openalex.org/W2063060349","https://openalex.org/W2065884586","https://openalex.org/W2087661061","https://openalex.org/W2090183541","https://openalex.org/W2118186089","https://openalex.org/W2132730360","https://openalex.org/W2141125668","https://openalex.org/W2148941593","https://openalex.org/W2171799021","https://openalex.org/W2326101495","https://openalex.org/W2394680179","https://openalex.org/W2766040292","https://openalex.org/W4253946056"],"related_works":["https://openalex.org/W2063930242","https://openalex.org/W2147932467","https://openalex.org/W2062534113","https://openalex.org/W3033278487","https://openalex.org/W2899763837","https://openalex.org/W2059489791","https://openalex.org/W2059020601","https://openalex.org/W2020333055","https://openalex.org/W2896909607","https://openalex.org/W1996835888"],"abstract_inverted_index":null,"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}