{"id":"https://openalex.org/W2162585840","doi":"https://doi.org/10.1007/s10822-006-9057-z","title":"Three dimensional model of severe acute respiratory syndrome coronavirus helicase ATPase catalytic domain and molecular design of severe acute respiratory syndrome coronavirus helicase inhibitors","display_name":"Three dimensional model of severe acute respiratory syndrome coronavirus helicase ATPase catalytic domain and molecular design of severe acute respiratory syndrome coronavirus helicase inhibitors","publication_year":2006,"publication_date":"2006-05-01","ids":{"openalex":"https://openalex.org/W2162585840","doi":"https://doi.org/10.1007/s10822-006-9057-z","mag":"2162585840","pmid":"https://pubmed.ncbi.nlm.nih.gov/16972168"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-006-9057-z","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-006-9057-z","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-006-9057-z.pdf","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":"bronze","oa_url":"https://link.springer.com/content/pdf/10.1007/s10822-006-9057-z.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5024886465","display_name":"Marcin Hoffmann","orcid":"https://orcid.org/0000-0002-1729-977X"},"institutions":[{"id":"https://openalex.org/I4210132495","display_name":"BioInfoBank Institute","ror":"https://ror.org/0432q4w56","country_code":"PL","type":"nonprofit","lineage":["https://openalex.org/I4210132495"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Marcin Hoffmann","raw_affiliation_strings":["BioInfoBank Institute, ul. Limanowskiego 24A, 60-744 Poznan, Poland. mmh@bioinfo.pl","BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"BioInfoBank Institute, ul. Limanowskiego 24A, 60-744 Poznan, Poland. mmh@bioinfo.pl","institution_ids":["https://openalex.org/I4210132495"]},{"raw_affiliation_string":"BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland","institution_ids":["https://openalex.org/I4210132495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016765047","display_name":"Krystian Eitner","orcid":null},"institutions":[{"id":"https://openalex.org/I4210132495","display_name":"BioInfoBank Institute","ror":"https://ror.org/0432q4w56","country_code":"PL","type":"nonprofit","lineage":["https://openalex.org/I4210132495"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Krystian Eitner","raw_affiliation_strings":["BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland","institution_ids":["https://openalex.org/I4210132495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008863270","display_name":"Marcin von Grotthuss","orcid":"https://orcid.org/0000-0002-2850-1152"},"institutions":[{"id":"https://openalex.org/I4210132495","display_name":"BioInfoBank Institute","ror":"https://ror.org/0432q4w56","country_code":"PL","type":"nonprofit","lineage":["https://openalex.org/I4210132495"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Marcin von Grotthuss","raw_affiliation_strings":["BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland","institution_ids":["https://openalex.org/I4210132495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5036708265","display_name":"Leszek Rychlewski","orcid":null},"institutions":[{"id":"https://openalex.org/I4210132495","display_name":"BioInfoBank Institute","ror":"https://ror.org/0432q4w56","country_code":"PL","type":"nonprofit","lineage":["https://openalex.org/I4210132495"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Leszek Rychlewski","raw_affiliation_strings":["BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland","institution_ids":["https://openalex.org/I4210132495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022977621","display_name":"Ewa Banachowicz","orcid":"https://orcid.org/0000-0001-6219-5681"},"institutions":[{"id":"https://openalex.org/I59411706","display_name":"Adam Mickiewicz University in Pozna\u0144","ror":"https://ror.org/04g6bbq64","country_code":"PL","type":"education","lineage":["https://openalex.org/I59411706"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Ewa Banachowicz","raw_affiliation_strings":["Bioinformatics Unit, Department of Physics, Adam Mickiewicz University, ul. Umultowska 85, 61\u2013614, Poznan, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics Unit, Department of Physics, Adam Mickiewicz University, ul. Umultowska 85, 61\u2013614, Poznan, Poland","institution_ids":["https://openalex.org/I59411706"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023736522","display_name":"Tomasz Grabarkiewicz","orcid":"https://orcid.org/0000-0002-1587-1963"},"institutions":[{"id":"https://openalex.org/I4210132495","display_name":"BioInfoBank Institute","ror":"https://ror.org/0432q4w56","country_code":"PL","type":"nonprofit","lineage":["https://openalex.org/I4210132495"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Tomasz Grabarkiewicz","raw_affiliation_strings":["BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"BioInfoBank Institute, ul. Limanowskiego 24A, 60-744, Poznan, Poland","institution_ids":["https://openalex.org/I4210132495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024547027","display_name":"Tomasz Szkoda","orcid":null},"institutions":[{"id":"https://openalex.org/I4210101740","display_name":"Narodowy Instytut Zdrowia Publicznego PZH \u2013 Pa\u0144stwowy Instytut Badawczy","ror":"https://ror.org/015qjap30","country_code":"PL","type":"facility","lineage":["https://openalex.org/I4210101740"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Tomasz Szkoda","raw_affiliation_strings":["Respiratory Virus Laboratory, Department of Virology, National Institute of Hygiene, ul. Chocimska 24, 00-791, Warsaw, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Respiratory Virus Laboratory, Department of Virology, National Institute of Hygiene, ul. Chocimska 24, 00-791, Warsaw, Poland","institution_ids":["https://openalex.org/I4210101740"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5025085688","display_name":"Andrzej Koli\u0144ski","orcid":"https://orcid.org/0000-0002-8830-2315"},"institutions":[{"id":"https://openalex.org/I4654613","display_name":"University of Warsaw","ror":"https://ror.org/039bjqg32","country_code":"PL","type":"education","lineage":["https://openalex.org/I4654613"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Andrzej Kolinski","raw_affiliation_strings":["Faculty of Chemistry, Warsaw University, ul. Pasteura 1, 02-093, Warsaw, Poland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Chemistry, Warsaw University, ul. Pasteura 1, 02-093, Warsaw, Poland","institution_ids":["https://openalex.org/I4654613"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5024886465"],"corresponding_institution_ids":["https://openalex.org/I4210132495"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":1.6187,"has_fulltext":true,"cited_by_count":14,"citation_normalized_percentile":{"value":0.84636103,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"20","issue":"5","first_page":"305","last_page":"319"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9986000061035156,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9986000061035156,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9965999722480774,"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/T10118","display_name":"SARS-CoV-2 and COVID-19 Research","score":0.977400004863739,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/helicase","display_name":"Helicase","score":0.8172178864479065},{"id":"https://openalex.org/keywords/respiratory-system","display_name":"Respiratory system","score":0.6346171498298645},{"id":"https://openalex.org/keywords/coronavirus","display_name":"Coronavirus","score":0.6078036427497864},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.4885748326778412},{"id":"https://openalex.org/keywords/virology","display_name":"Virology","score":0.4820343255996704},{"id":"https://openalex.org/keywords/coronavirus-disease-2019","display_name":"Coronavirus disease 2019 (COVID-19)","score":0.4792225956916809},{"id":"https://openalex.org/keywords/severe-acute-respiratory-syndrome-coronavirus","display_name":"Severe acute respiratory syndrome coronavirus","score":0.45925208926200867},{"id":"https://openalex.org/keywords/middle-east-respiratory-syndrome-coronavirus","display_name":"Middle East respiratory syndrome coronavirus","score":0.4583863615989685},{"id":"https://openalex.org/keywords/atpase","display_name":"ATPase","score":0.4345904290676117},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.21184691786766052},{"id":"https://openalex.org/keywords/internal-medicine","display_name":"Internal medicine","score":0.16127273440361023},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.11903369426727295},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.10904279351234436},{"id":"https://openalex.org/keywords/disease","display_name":"Disease","score":0.09414297342300415},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.08478385210037231},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.05967870354652405}],"concepts":[{"id":"https://openalex.org/C161223559","wikidata":"https://www.wikidata.org/wiki/Q138864","display_name":"Helicase","level":4,"score":0.8172178864479065},{"id":"https://openalex.org/C534529494","wikidata":"https://www.wikidata.org/wiki/Q7891","display_name":"Respiratory system","level":2,"score":0.6346171498298645},{"id":"https://openalex.org/C2777648638","wikidata":"https://www.wikidata.org/wiki/Q57751738","display_name":"Coronavirus","level":5,"score":0.6078036427497864},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.4885748326778412},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.4820343255996704},{"id":"https://openalex.org/C3008058167","wikidata":"https://www.wikidata.org/wiki/Q84263196","display_name":"Coronavirus disease 2019 (COVID-19)","level":4,"score":0.4792225956916809},{"id":"https://openalex.org/C2910188402","wikidata":"https://www.wikidata.org/wiki/Q85438966","display_name":"Severe acute respiratory syndrome coronavirus","level":5,"score":0.45925208926200867},{"id":"https://openalex.org/C2777691041","wikidata":"https://www.wikidata.org/wiki/Q4902157","display_name":"Middle East respiratory syndrome coronavirus","level":5,"score":0.4583863615989685},{"id":"https://openalex.org/C23265538","wikidata":"https://www.wikidata.org/wiki/Q300033","display_name":"ATPase","level":3,"score":0.4345904290676117},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.21184691786766052},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.16127273440361023},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.11903369426727295},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.10904279351234436},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.09414297342300415},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.08478385210037231},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.05967870354652405},{"id":"https://openalex.org/C524204448","wikidata":"https://www.wikidata.org/wiki/Q788926","display_name":"Infectious disease (medical specialty)","level":3,"score":0.0},{"id":"https://openalex.org/C67705224","wikidata":"https://www.wikidata.org/wiki/Q11053","display_name":"RNA","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004265","descriptor_name":"DNA Helicases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D004265","descriptor_name":"DNA Helicases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D004265","descriptor_name":"DNA Helicases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D004265","descriptor_name":"DNA Helicases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004265","descriptor_name":"DNA Helicases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004265","descriptor_name":"DNA Helicases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","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":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","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":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016415","descriptor_name":"Sequence Alignment","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016415","descriptor_name":"Sequence Alignment","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016415","descriptor_name":"Sequence Alignment","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017124","descriptor_name":"Conserved Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017124","descriptor_name":"Conserved Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017124","descriptor_name":"Conserved Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D040681","descriptor_name":"Structural Homology, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D040681","descriptor_name":"Structural Homology, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D040681","descriptor_name":"Structural Homology, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045473","descriptor_name":"Severe acute respiratory syndrome-related coronavirus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D045473","descriptor_name":"Severe acute respiratory syndrome-related coronavirus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D045473","descriptor_name":"Severe acute respiratory syndrome-related coronavirus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1007/s10822-006-9057-z","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-006-9057-z","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-006-9057-z.pdf","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:16972168","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16972168","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:europepmc.org:6043805","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7088412","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":"Text"}],"best_oa_location":{"id":"doi:10.1007/s10822-006-9057-z","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-006-9057-z","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-006-9057-z.pdf","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"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320321042","display_name":"Fundacja na rzecz Nauki Polskiej","ror":"https://ror.org/048zd9m77"},{"id":"https://openalex.org/F4320331121","display_name":"Pozna\u0144skie Centrum Superkomputerowo-Sieciowe","ror":"https://ror.org/025cj6e44"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2162585840.pdf","grobid_xml":"https://content.openalex.org/works/W2162585840.grobid-xml"},"referenced_works_count":79,"referenced_works":["https://openalex.org/W42096393","https://openalex.org/W124504601","https://openalex.org/W137289794","https://openalex.org/W1518999760","https://openalex.org/W1560994142","https://openalex.org/W1965280032","https://openalex.org/W1965420179","https://openalex.org/W1969836007","https://openalex.org/W1971596502","https://openalex.org/W1982003972","https://openalex.org/W1995808589","https://openalex.org/W1999361932","https://openalex.org/W2003525755","https://openalex.org/W2003852785","https://openalex.org/W2004228538","https://openalex.org/W2005273025","https://openalex.org/W2005402849","https://openalex.org/W2005966380","https://openalex.org/W2008922668","https://openalex.org/W2019881371","https://openalex.org/W2020629025","https://openalex.org/W2021480093","https://openalex.org/W2021768547","https://openalex.org/W2025946769","https://openalex.org/W2026467865","https://openalex.org/W2029667189","https://openalex.org/W2032842297","https://openalex.org/W2037403898","https://openalex.org/W2044206840","https://openalex.org/W2048682054","https://openalex.org/W2057259693","https://openalex.org/W2059928168","https://openalex.org/W2060979157","https://openalex.org/W2062845464","https://openalex.org/W2063656141","https://openalex.org/W2065283382","https://openalex.org/W2066142272","https://openalex.org/W2066464436","https://openalex.org/W2066950391","https://openalex.org/W2072690167","https://openalex.org/W2074878475","https://openalex.org/W2077501220","https://openalex.org/W2077973224","https://openalex.org/W2082608486","https://openalex.org/W2084220260","https://openalex.org/W2084466582","https://openalex.org/W2091765441","https://openalex.org/W2092934564","https://openalex.org/W2094134296","https://openalex.org/W2102677343","https://openalex.org/W2104940206","https://openalex.org/W2105828658","https://openalex.org/W2111796195","https://openalex.org/W2114520383","https://openalex.org/W2115844197","https://openalex.org/W2115952666","https://openalex.org/W2116586125","https://openalex.org/W2117301613","https://openalex.org/W2122199548","https://openalex.org/W2122571070","https://openalex.org/W2127336290","https://openalex.org/W2131249190","https://openalex.org/W2132748660","https://openalex.org/W2138473864","https://openalex.org/W2141783940","https://openalex.org/W2143199763","https://openalex.org/W2144483796","https://openalex.org/W2147075997","https://openalex.org/W2151541959","https://openalex.org/W2155358697","https://openalex.org/W2155524113","https://openalex.org/W2157892451","https://openalex.org/W2161732286","https://openalex.org/W2167540878","https://openalex.org/W2168770860","https://openalex.org/W2169087593","https://openalex.org/W2171799021","https://openalex.org/W2347808503","https://openalex.org/W4236805446"],"related_works":["https://openalex.org/W3010548836","https://openalex.org/W3010096359","https://openalex.org/W3048757376","https://openalex.org/W938994385","https://openalex.org/W4213330639","https://openalex.org/W1980518777","https://openalex.org/W3135447008","https://openalex.org/W3200622406","https://openalex.org/W3030914295","https://openalex.org/W3029903184"],"abstract_inverted_index":null,"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-07-29T09:40:50.615796","created_date":"2025-10-10T00:00:00"}