{"id":"https://openalex.org/W2345719659","doi":"https://doi.org/10.1093/nar/gkw393","title":"ACFIS: a web server for fragment-based drug discovery","display_name":"ACFIS: a web server for fragment-based drug discovery","publication_year":2016,"publication_date":"2016-05-05","ids":{"openalex":"https://openalex.org/W2345719659","doi":"https://doi.org/10.1093/nar/gkw393","mag":"2345719659","pmid":"https://pubmed.ncbi.nlm.nih.gov/27150808"},"language":"en","primary_location":{"id":"doi:10.1093/nar/gkw393","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkw393","pdf_url":"https://academic.oup.com/nar/article-pdf/44/W1/W550/18788280/gkw393.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/nar/article-pdf/44/W1/W550/18788280/gkw393.pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5068847247","display_name":"Ge\u2010Fei Hao","orcid":"https://orcid.org/0000-0003-4090-8411"},"institutions":[{"id":"https://openalex.org/I40963666","display_name":"Central China Normal University","ror":"https://ror.org/03x1jna21","country_code":"CN","type":"education","lineage":["https://openalex.org/I40963666"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ge-Fei Hao","raw_affiliation_strings":["Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China","Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China","institution_ids":["https://openalex.org/I40963666"]},{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,","institution_ids":["https://openalex.org/I40963666"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038035263","display_name":"Wen Jiang","orcid":"https://orcid.org/0000-0001-6495-4215"},"institutions":[{"id":"https://openalex.org/I40963666","display_name":"Central China Normal University","ror":"https://ror.org/03x1jna21","country_code":"CN","type":"education","lineage":["https://openalex.org/I40963666"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wen Jiang","raw_affiliation_strings":["Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China","Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China","institution_ids":["https://openalex.org/I40963666"]},{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,","institution_ids":["https://openalex.org/I40963666"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021588794","display_name":"Yuan\u2010Nong Ye","orcid":"https://orcid.org/0000-0002-2029-4558"},"institutions":[{"id":"https://openalex.org/I150229711","display_name":"University of Electronic Science and Technology of China","ror":"https://ror.org/04qr3zq92","country_code":"CN","type":"education","lineage":["https://openalex.org/I150229711"]},{"id":"https://openalex.org/I4210151209","display_name":"Collaborative Innovation Center of Chemical Science and Engineering Tianjin","ror":"https://ror.org/0225a5s12","country_code":"CN","type":"facility","lineage":["https://openalex.org/I162868743","https://openalex.org/I205237279","https://openalex.org/I4210151209"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuan-Nong Ye","raw_affiliation_strings":["Collaborative Innovation Center of Chemical Science and Engineering, Tianjing 300072, P.R.China","Center of Bioinformatics and Key Laboratory for NeuroInformation of the Ministry of Education, University of Electronic Science and Technology of China, Chengdu 610054, P.R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Collaborative Innovation Center of Chemical Science and Engineering, Tianjing 300072, P.R.China","institution_ids":["https://openalex.org/I4210151209"]},{"raw_affiliation_string":"Center of Bioinformatics and Key Laboratory for NeuroInformation of the Ministry of Education, University of Electronic Science and Technology of China, Chengdu 610054, P.R. China","institution_ids":["https://openalex.org/I150229711"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008628779","display_name":"Fengxu Wu","orcid":null},"institutions":[{"id":"https://openalex.org/I40963666","display_name":"Central China Normal University","ror":"https://ror.org/03x1jna21","country_code":"CN","type":"education","lineage":["https://openalex.org/I40963666"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Feng-Xu Wu","raw_affiliation_strings":["Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China","Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China","institution_ids":["https://openalex.org/I40963666"]},{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,","institution_ids":["https://openalex.org/I40963666"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100685645","display_name":"Xiao\u2010Lei Zhu","orcid":"https://orcid.org/0000-0002-5672-5209"},"institutions":[{"id":"https://openalex.org/I40963666","display_name":"Central China Normal University","ror":"https://ror.org/03x1jna21","country_code":"CN","type":"education","lineage":["https://openalex.org/I40963666"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiao-Lei Zhu","raw_affiliation_strings":["Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China","Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China","institution_ids":["https://openalex.org/I40963666"]},{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,","institution_ids":["https://openalex.org/I40963666"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079147107","display_name":"Feng\u2010Biao Guo","orcid":"https://orcid.org/0000-0002-1129-5233"},"institutions":[{"id":"https://openalex.org/I150229711","display_name":"University of Electronic Science and Technology of China","ror":"https://ror.org/04qr3zq92","country_code":"CN","type":"education","lineage":["https://openalex.org/I150229711"]},{"id":"https://openalex.org/I4210151209","display_name":"Collaborative Innovation Center of Chemical Science and Engineering Tianjin","ror":"https://ror.org/0225a5s12","country_code":"CN","type":"facility","lineage":["https://openalex.org/I162868743","https://openalex.org/I205237279","https://openalex.org/I4210151209"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Feng-Biao Guo","raw_affiliation_strings":["Collaborative Innovation Center of Chemical Science and Engineering, Tianjing 300072, P.R.China fbguo@uestc.edu.cn","Center of Bioinformatics and Key Laboratory for NeuroInformation of the Ministry of Education, University of Electronic Science and Technology of China, Chengdu 610054, P.R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Collaborative Innovation Center of Chemical Science and Engineering, Tianjing 300072, P.R.China fbguo@uestc.edu.cn","institution_ids":["https://openalex.org/I4210151209"]},{"raw_affiliation_string":"Center of Bioinformatics and Key Laboratory for NeuroInformation of the Ministry of Education, University of Electronic Science and Technology of China, Chengdu 610054, P.R. China","institution_ids":["https://openalex.org/I150229711"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5102707897","display_name":"Guang\u2010Fu Yang","orcid":"https://orcid.org/0000-0003-4384-2593"},"institutions":[{"id":"https://openalex.org/I40963666","display_name":"Central China Normal University","ror":"https://ror.org/03x1jna21","country_code":"CN","type":"education","lineage":["https://openalex.org/I40963666"]},{"id":"https://openalex.org/I4210151209","display_name":"Collaborative Innovation Center of Chemical Science and Engineering Tianjin","ror":"https://ror.org/0225a5s12","country_code":"CN","type":"facility","lineage":["https://openalex.org/I162868743","https://openalex.org/I205237279","https://openalex.org/I4210151209"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Guang-Fu Yang","raw_affiliation_strings":["Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China Collaborative Innovation Center of Chemical Science and Engineering, Tianjing 300072, P.R.China gfyang@mail.ccnu.edu.cn","Collaborative Innovation Center of Chemical Science and Engineering, Tianjing 300072, P.R.China","Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China Collaborative Innovation Center of Chemical Science and Engineering, Tianjing 300072, P.R.China gfyang@mail.ccnu.edu.cn","institution_ids":["https://openalex.org/I40963666"]},{"raw_affiliation_string":"Collaborative Innovation Center of Chemical Science and Engineering, Tianjing 300072, P.R.China","institution_ids":["https://openalex.org/I4210151209"]},{"raw_affiliation_string":"Key Laboratory of Pesticide & Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, P.R.China,","institution_ids":["https://openalex.org/I40963666"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":7,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3630,"currency":"USD","value_usd":3630},"apc_paid":{"value":3630,"currency":"USD","value_usd":3630},"fwci":4.6859,"has_fulltext":true,"cited_by_count":120,"citation_normalized_percentile":{"value":0.94977384,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"44","issue":"W1","first_page":"W550","last_page":"W556"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.996399998664856,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.8531498908996582},{"id":"https://openalex.org/keywords/fragment","display_name":"Fragment (logic)","score":0.8376966714859009},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.7217774987220764},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.7014631032943726},{"id":"https://openalex.org/keywords/web-server","display_name":"Web server","score":0.6453888416290283},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.5935975313186646},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5618008971214294},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.48344478011131287},{"id":"https://openalex.org/keywords/ranking","display_name":"Ranking (information retrieval)","score":0.4694654047489166},{"id":"https://openalex.org/keywords/expansive","display_name":"Expansive","score":0.4544903635978699},{"id":"https://openalex.org/keywords/interface","display_name":"Interface (matter)","score":0.434952974319458},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.4101710617542267},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3966335952281952},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.290837824344635},{"id":"https://openalex.org/keywords/the-internet","display_name":"The Internet","score":0.2454562485218048},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.22600844502449036},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.16057541966438293},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.14235341548919678},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.11439427733421326},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.09426549077033997},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.08324086666107178},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.07585111260414124}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.8531498908996582},{"id":"https://openalex.org/C2776235265","wikidata":"https://www.wikidata.org/wiki/Q18392052","display_name":"Fragment (logic)","level":2,"score":0.8376966714859009},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.7217774987220764},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.7014631032943726},{"id":"https://openalex.org/C11392498","wikidata":"https://www.wikidata.org/wiki/Q11288","display_name":"Web server","level":3,"score":0.6453888416290283},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.5935975313186646},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5618008971214294},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.48344478011131287},{"id":"https://openalex.org/C189430467","wikidata":"https://www.wikidata.org/wiki/Q7293293","display_name":"Ranking (information retrieval)","level":2,"score":0.4694654047489166},{"id":"https://openalex.org/C2780502288","wikidata":"https://www.wikidata.org/wiki/Q28838156","display_name":"Expansive","level":3,"score":0.4544903635978699},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.434952974319458},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.4101710617542267},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3966335952281952},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.290837824344635},{"id":"https://openalex.org/C110875604","wikidata":"https://www.wikidata.org/wiki/Q75","display_name":"The Internet","level":2,"score":0.2454562485218048},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.22600844502449036},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.16057541966438293},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.14235341548919678},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.11439427733421326},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.09426549077033997},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.08324086666107178},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.07585111260414124},{"id":"https://openalex.org/C30407753","wikidata":"https://www.wikidata.org/wiki/Q186191","display_name":"Compressive strength","level":2,"score":0.0},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.0},{"id":"https://openalex.org/C55352822","wikidata":"https://www.wikidata.org/wiki/Q5558978","display_name":"Gibbs isotherm","level":3,"score":0.0},{"id":"https://openalex.org/C58226133","wikidata":"https://www.wikidata.org/wiki/Q1324199","display_name":"Pulmonary surfactant","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014584","descriptor_name":"User-Computer Interface","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020407","descriptor_name":"Internet","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021621","descriptor_name":"Imaging, Three-Dimensional","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D054852","descriptor_name":"Small Molecule Libraries","qualifier_ui":"Q000494","qualifier_name":"pharmacology","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":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1093/nar/gkw393","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkw393","pdf_url":"https://academic.oup.com/nar/article-pdf/44/W1/W550/18788280/gkw393.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},{"id":"pmid:27150808","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/27150808","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":"Nucleic acids research","raw_type":null},{"id":"pmh:oai:europepmc.org:3952913","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4987934","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"},{"id":"pmh:oai:open-archive.highwire.org:nar:44/W1/W550","is_oa":false,"landing_page_url":"http://nar.oxfordjournals.org/cgi/content/short/44/W1/W550","pdf_url":null,"source":{"id":"https://openalex.org/S4406923041","display_name":"HighWire Press Open Archive","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"TEXT"}],"best_oa_location":{"id":"doi:10.1093/nar/gkw393","is_oa":true,"landing_page_url":"https://doi.org/10.1093/nar/gkw393","pdf_url":"https://academic.oup.com/nar/article-pdf/44/W1/W550/18788280/gkw393.pdf","source":{"id":"https://openalex.org/S134668137","display_name":"Nucleic Acids Research","issn_l":"0305-1048","issn":["0305-1048","1362-4954","1362-4962"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nucleic Acids Research","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.5699999928474426,"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9"}],"awards":[{"id":"https://openalex.org/G2924330416","display_name":null,"funder_award_id":"31470068","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4007346898","display_name":null,"funder_award_id":"21332004","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4409620477","display_name":null,"funder_award_id":"201203022","funder_id":"https://openalex.org/F4320335448","funder_display_name":"Special Fund for Agro-scientific Research in the Public Interest"},{"id":"https://openalex.org/G7963680758","display_name":null,"funder_award_id":"201203022","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320335448","display_name":"Special Fund for Agro-scientific Research in the Public Interest","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2345719659.pdf","grobid_xml":"https://content.openalex.org/works/W2345719659.grobid-xml"},"referenced_works_count":33,"referenced_works":["https://openalex.org/W1509196567","https://openalex.org/W1569946949","https://openalex.org/W1966677073","https://openalex.org/W1973106804","https://openalex.org/W1977909079","https://openalex.org/W1983376893","https://openalex.org/W1989966205","https://openalex.org/W1996100382","https://openalex.org/W2005697206","https://openalex.org/W2007249694","https://openalex.org/W2012443018","https://openalex.org/W2017552574","https://openalex.org/W2027974277","https://openalex.org/W2028816469","https://openalex.org/W2033016300","https://openalex.org/W2044424923","https://openalex.org/W2046813714","https://openalex.org/W2047710091","https://openalex.org/W2050440510","https://openalex.org/W2076228622","https://openalex.org/W2079911661","https://openalex.org/W2092285329","https://openalex.org/W2133447437","https://openalex.org/W2135080928","https://openalex.org/W2142868265","https://openalex.org/W2146390839","https://openalex.org/W2155384593","https://openalex.org/W2155721378","https://openalex.org/W2169678694","https://openalex.org/W2396663079","https://openalex.org/W2400204193","https://openalex.org/W2469922213","https://openalex.org/W2950124390"],"related_works":["https://openalex.org/W3185720802","https://openalex.org/W2072444571","https://openalex.org/W2009937564","https://openalex.org/W1973079533","https://openalex.org/W4318472429","https://openalex.org/W2921492615","https://openalex.org/W2017996710","https://openalex.org/W2386492977","https://openalex.org/W3035079691","https://openalex.org/W2904031697"],"abstract_inverted_index":{"In":[0,74],"order":[1],"to":[2,22,41,52,121,148,151,186],"foster":[3],"innovation":[4],"and":[5,29,57,97,113,157,184],"improve":[6],"the":[7,70,106,122,137,158,169],"effectiveness":[8],"of":[9,64,124,140],"drug":[10,34,176],"discovery,":[11],"there":[12],"is":[13,66,182],"a":[14,53,79,141,145,171],"considerable":[15],"interest":[16],"in":[17,86,115,155,161],"exploring":[18],"unknown":[19],"'chemical":[20,47],"space'":[21],"identify":[23],"new":[24,80],"bioactive":[25],"compounds":[26],"with":[27],"novel":[28],"diverse":[30],"scaffolds.":[31],"Hence,":[32],"fragment-based":[33],"discovery":[35],"(FBDD)":[36],"was":[37],"developed":[38,78],"rapidly":[39,132],"due":[40],"its":[42],"advanced":[43],"expansive":[44],"search":[45],"for":[46,163,175],"space',":[48],"which":[49,134],"can":[50,100],"lead":[51],"higher":[54],"hit":[55],"rate":[56],"ligand":[58],"efficiency":[59],"(LE).":[60],"However,":[61],"computational":[62,93],"screening":[63,117],"fragments":[65,120,135],"always":[67],"hampered":[68],"by":[69,118],"promiscuous":[71],"binding":[72,138,159],"model.":[73],"this":[75],"study,":[76],"we":[77],"web":[81,180],"server":[82,181],"Auto":[83],"Core":[84],"Fragment":[85],"silico":[87,116],"Screening":[88],"(ACFIS).":[89],"It":[90],"includes":[91],"three":[92],"modules,":[94],"PARA_GEN,":[95],"CORE_GEN":[96],"CAND_GEN.":[98],"ACFIS":[99,170,179],"generate":[101],"core":[102,125],"fragment":[103,110,126],"structure":[104],"from":[105],"active":[107],"molecule":[108],"using":[109],"deconstruction":[111],"analysis":[112],"perform":[114],"growing":[119],"junction":[123],"structure.":[127],"An":[128],"integrated":[129],"energy":[130],"calculation":[131],"identifies":[133],"fit":[136],"site":[139],"protein.":[142],"We":[143],"constructed":[144],"simple":[146],"interface":[147],"enable":[149],"users":[150,188],"view":[152],"top-ranking":[153],"molecules":[154],"2D":[156],"mode":[160],"3D":[162],"further":[164],"experimental":[165],"exploration.":[166],"This":[167],"makes":[168],"highly":[172],"valuable":[173],"tool":[174],"discovery.":[177],"The":[178],"free":[183],"open":[185],"all":[187],"at":[189],"http://chemyang.ccnu.edu.cn/ccb/server/ACFIS/.":[190]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":26},{"year":2022,"cited_by_count":24},{"year":2021,"cited_by_count":26},{"year":2020,"cited_by_count":22},{"year":2019,"cited_by_count":6},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1}],"updated_date":"2026-06-16T07:32:37.131356","created_date":"2025-10-10T00:00:00"}