{"id":"https://openalex.org/W2908372792","doi":"https://doi.org/10.1007/s10822-018-0182-2","title":"First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase","display_name":"First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase","publication_year":2019,"publication_date":"2019-01-01","ids":{"openalex":"https://openalex.org/W2908372792","doi":"https://doi.org/10.1007/s10822-018-0182-2","mag":"2908372792","pmid":"https://pubmed.ncbi.nlm.nih.gov/30603820"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-018-0182-2","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-018-0182-2","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":true,"oa_status":"green","oa_url":"http://hdl.handle.net/11380/1170569","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5053183150","display_name":"Francesca Spyrakis","orcid":"https://orcid.org/0000-0002-4016-227X"},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Francesca Spyrakis","raw_affiliation_strings":["Department of Drug Science and Technology, University of Turin, Via Giuria 9, 10125, Turin, Italy. francesca.spyrakis@unito.it","Department of Drug Science and Technology, University of Turin, Via Giuria 9, 10125, Turin, Italy"],"raw_orcid":"https://orcid.org/0000-0002-4016-227X","affiliations":[{"raw_affiliation_string":"Department of Drug Science and Technology, University of Turin, Via Giuria 9, 10125, Turin, Italy. francesca.spyrakis@unito.it","institution_ids":["https://openalex.org/I55143463"]},{"raw_affiliation_string":"Department of Drug Science and Technology, University of Turin, Via Giuria 9, 10125, Turin, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003529989","display_name":"Pierangelo Bellio","orcid":"https://orcid.org/0000-0001-6488-8027"},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Pierangelo Bellio","raw_affiliation_strings":["Department of Biotechnological and Applied Clinical Sciences, University of L'Aquila, via Vetoio 1, 67100, L'Aquila, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biotechnological and Applied Clinical Sciences, University of L'Aquila, via Vetoio 1, 67100, L'Aquila, Italy","institution_ids":["https://openalex.org/I26415053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001825823","display_name":"Antonio Quotadamo","orcid":"https://orcid.org/0000-0002-0357-3504"},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Antonio Quotadamo","raw_affiliation_strings":["Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064497021","display_name":"Pasquale Linciano","orcid":"https://orcid.org/0000-0003-0382-7479"},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Pasquale Linciano","raw_affiliation_strings":["Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058859501","display_name":"Paolo Benedetti","orcid":"https://orcid.org/0000-0001-7985-1753"},"institutions":[{"id":"https://openalex.org/I27483092","display_name":"University of Perugia","ror":"https://ror.org/00x27da85","country_code":"IT","type":"education","lineage":["https://openalex.org/I27483092"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Paolo Benedetti","raw_affiliation_strings":["Consortium for Computational Molecular and Materials Sciences (CMS), Via Elce di Sotto 8, 06123, Perugia, Italy","Department of Chemistry, Biology and Biotechnology, University of Perugia, Via Elce di Sotto 8, 06123, Perugia, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Consortium for Computational Molecular and Materials Sciences (CMS), Via Elce di Sotto 8, 06123, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]},{"raw_affiliation_string":"Department of Chemistry, Biology and Biotechnology, University of Perugia, Via Elce di Sotto 8, 06123, Perugia, Italy","institution_ids":["https://openalex.org/I27483092"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077321550","display_name":"Giulia D\u2019Arrigo","orcid":"https://orcid.org/0000-0002-1113-2266"},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giulia D\u2019Arrigo","raw_affiliation_strings":["Department of Drug Science and Technology, University of Turin, Via Giuria 9, 10125, Turin, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Drug Science and Technology, University of Turin, Via Giuria 9, 10125, Turin, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083725137","display_name":"Massimo Baroni","orcid":"https://orcid.org/0000-0003-0866-148X"},"institutions":[{"id":"https://openalex.org/I4210165610","display_name":"Molecular Discovery (United Kingdom)","ror":"https://ror.org/0576dtf44","country_code":"GB","type":"company","lineage":["https://openalex.org/I4210165610"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Massimo Baroni","raw_affiliation_strings":["Molecular Discovery Limited, U.501 Centennial Park, Centennial Ave, Elstree, Borehamwood, Hertfordshire, WD6 3FG, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Molecular Discovery Limited, U.501 Centennial Park, Centennial Ave, Elstree, Borehamwood, Hertfordshire, WD6 3FG, UK","institution_ids":["https://openalex.org/I4210165610"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030303785","display_name":"Laura Cendron","orcid":"https://orcid.org/0000-0002-0125-0461"},"institutions":[{"id":"https://openalex.org/I138689650","display_name":"University of Padua","ror":"https://ror.org/00240q980","country_code":"IT","type":"education","lineage":["https://openalex.org/I138689650"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Laura Cendron","raw_affiliation_strings":["Department of Biology, University of Padua, Viale G. Colombo 3, 35121, Padua, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biology, University of Padua, Viale G. Colombo 3, 35121, Padua, Italy","institution_ids":["https://openalex.org/I138689650"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006317106","display_name":"Giuseppe Celenza","orcid":"https://orcid.org/0000-0003-2796-9228"},"institutions":[{"id":"https://openalex.org/I26415053","display_name":"University of L'Aquila","ror":"https://ror.org/01j9p1r26","country_code":"IT","type":"education","lineage":["https://openalex.org/I26415053"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Giuseppe Celenza","raw_affiliation_strings":["Department of Biotechnological and Applied Clinical Sciences, University of L'Aquila, via Vetoio 1, 67100, L'Aquila, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biotechnological and Applied Clinical Sciences, University of L'Aquila, via Vetoio 1, 67100, L'Aquila, Italy","institution_ids":["https://openalex.org/I26415053"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5050306209","display_name":"Donatella Tondi","orcid":"https://orcid.org/0000-0002-5195-5531"},"institutions":[{"id":"https://openalex.org/I122346577","display_name":"University of Modena and Reggio Emilia","ror":"https://ror.org/02d4c4y02","country_code":"IT","type":"education","lineage":["https://openalex.org/I122346577"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Donatella Tondi","raw_affiliation_strings":["Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy. donatella.tondi@unimore.it","Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy"],"raw_orcid":"https://orcid.org/0000-0002-5195-5531","affiliations":[{"raw_affiliation_string":"Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy. donatella.tondi@unimore.it","institution_ids":["https://openalex.org/I122346577"]},{"raw_affiliation_string":"Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy","institution_ids":["https://openalex.org/I122346577"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5050306209","https://openalex.org/A5053183150"],"corresponding_institution_ids":["https://openalex.org/I122346577","https://openalex.org/I55143463"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":0.6164,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.57636449,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"33","issue":"2","first_page":"295","last_page":"305"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10147","display_name":"Antibiotic Resistance in Bacteria","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1313","display_name":"Molecular Medicine"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10147","display_name":"Antibiotic Resistance in Bacteria","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1313","display_name":"Molecular Medicine"},"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/T11036","display_name":"Antibiotics Pharmacokinetics and Efficacy","score":0.9764000177383423,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10654","display_name":"Pneumonia and Respiratory Infections","score":0.9678000211715698,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"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/virtual-screening","display_name":"Virtual screening","score":0.7533169388771057},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.6545752286911011},{"id":"https://openalex.org/keywords/antimicrobial","display_name":"Antimicrobial","score":0.6458079814910889},{"id":"https://openalex.org/keywords/klebsiella-pneumoniae","display_name":"Klebsiella pneumoniae","score":0.5863792300224304},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5204203724861145},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5008821487426758},{"id":"https://openalex.org/keywords/cephalosporin","display_name":"Cephalosporin","score":0.47925233840942383},{"id":"https://openalex.org/keywords/antibiotic-resistance","display_name":"Antibiotic resistance","score":0.4546052813529968},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.41122955083847046},{"id":"https://openalex.org/keywords/antibiotics","display_name":"Antibiotics","score":0.39550715684890747},{"id":"https://openalex.org/keywords/microbiology","display_name":"Microbiology","score":0.3807544708251953},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.3473740816116333},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.26224416494369507},{"id":"https://openalex.org/keywords/escherichia-coli","display_name":"Escherichia coli","score":0.24337822198867798},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.21174117922782898},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.19015726447105408},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.13733592629432678}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7533169388771057},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6545752286911011},{"id":"https://openalex.org/C4937899","wikidata":"https://www.wikidata.org/wiki/Q68541106","display_name":"Antimicrobial","level":2,"score":0.6458079814910889},{"id":"https://openalex.org/C2777058267","wikidata":"https://www.wikidata.org/wiki/Q132592","display_name":"Klebsiella pneumoniae","level":4,"score":0.5863792300224304},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5204203724861145},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5008821487426758},{"id":"https://openalex.org/C64778159","wikidata":"https://www.wikidata.org/wiki/Q271021","display_name":"Cephalosporin","level":3,"score":0.47925233840942383},{"id":"https://openalex.org/C94665300","wikidata":"https://www.wikidata.org/wiki/Q63391344","display_name":"Antibiotic resistance","level":3,"score":0.4546052813529968},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.41122955083847046},{"id":"https://openalex.org/C501593827","wikidata":"https://www.wikidata.org/wiki/Q12187","display_name":"Antibiotics","level":2,"score":0.39550715684890747},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.3807544708251953},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.3473740816116333},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.26224416494369507},{"id":"https://openalex.org/C547475151","wikidata":"https://www.wikidata.org/wiki/Q25419","display_name":"Escherichia coli","level":3,"score":0.24337822198867798},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.21174117922782898},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.19015726447105408},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.13733592629432678},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001618","descriptor_name":"beta-Lactamases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001618","descriptor_name":"beta-Lactamases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001618","descriptor_name":"beta-Lactamases","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011550","descriptor_name":"Pseudomonas aeruginosa","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011550","descriptor_name":"Pseudomonas aeruginosa","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011550","descriptor_name":"Pseudomonas aeruginosa","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","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":"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":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D065093","descriptor_name":"beta-Lactamase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D065093","descriptor_name":"beta-Lactamase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D065093","descriptor_name":"beta-Lactamase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1007/s10822-018-0182-2","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-018-0182-2","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:30603820","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30603820","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},{"id":"pmh:oai:iris.unimore.it:11380/1170569","is_oa":true,"landing_page_url":"http://hdl.handle.net/11380/1170569","pdf_url":null,"source":{"id":"https://openalex.org/S4306400718","display_name":"IRIS UNIMORE (University of Modena and Reggio Emilia)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I122346577","host_organization_name":"University of Modena and Reggio Emilia","host_organization_lineage":["https://openalex.org/I122346577"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:www.research.unipd.it:11577/3294467","is_oa":false,"landing_page_url":"http://hdl.handle.net/11577/3294467","pdf_url":null,"source":{"id":"https://openalex.org/S4306402547","display_name":"Padua Research Archive (University of Padova)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I138689650","host_organization_name":"University of Padua","host_organization_lineage":["https://openalex.org/I138689650"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:iris.unimore.it:11380/1170569","is_oa":true,"landing_page_url":"http://hdl.handle.net/11380/1170569","pdf_url":null,"source":{"id":"https://openalex.org/S4306400718","display_name":"IRIS UNIMORE (University of Modena and Reggio Emilia)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I122346577","host_organization_name":"University of Modena and Reggio Emilia","host_organization_lineage":["https://openalex.org/I122346577"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.5899999737739563,"id":"https://metadata.un.org/sdg/3"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":45,"referenced_works":["https://openalex.org/W2636846","https://openalex.org/W16685768","https://openalex.org/W1561204380","https://openalex.org/W1768032859","https://openalex.org/W1869453106","https://openalex.org/W1968618772","https://openalex.org/W1978212838","https://openalex.org/W1985911859","https://openalex.org/W1988887810","https://openalex.org/W2033877323","https://openalex.org/W2039384791","https://openalex.org/W2045548784","https://openalex.org/W2047709322","https://openalex.org/W2054588306","https://openalex.org/W2055140709","https://openalex.org/W2057406109","https://openalex.org/W2066821926","https://openalex.org/W2074631079","https://openalex.org/W2082549235","https://openalex.org/W2112209788","https://openalex.org/W2115758667","https://openalex.org/W2117992091","https://openalex.org/W2122639731","https://openalex.org/W2126809195","https://openalex.org/W2128581376","https://openalex.org/W2134253205","https://openalex.org/W2145354546","https://openalex.org/W2157045010","https://openalex.org/W2166696337","https://openalex.org/W2167789296","https://openalex.org/W2175130792","https://openalex.org/W2204075485","https://openalex.org/W2211683704","https://openalex.org/W2303971933","https://openalex.org/W2324076660","https://openalex.org/W2346084728","https://openalex.org/W2462284184","https://openalex.org/W2508936338","https://openalex.org/W2569158101","https://openalex.org/W2594606023","https://openalex.org/W2768974704","https://openalex.org/W2771721896","https://openalex.org/W2791464139","https://openalex.org/W2792335248","https://openalex.org/W2903154632"],"related_works":["https://openalex.org/W2003194288","https://openalex.org/W1714666523","https://openalex.org/W1971792277","https://openalex.org/W4292596087","https://openalex.org/W4200166313","https://openalex.org/W2050066772","https://openalex.org/W3106991335","https://openalex.org/W2397305809","https://openalex.org/W4285088338","https://openalex.org/W2123563726"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":5}],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2025-10-10T00:00:00"}
