{"id":"https://openalex.org/W4210716706","doi":"https://doi.org/10.1093/bib/bbac051","title":"Improving protein\u2013ligand docking and screening accuracies by incorporating a scoring function correction term","display_name":"Improving protein\u2013ligand docking and screening accuracies by incorporating a scoring function correction term","publication_year":2022,"publication_date":"2022-02-01","ids":{"openalex":"https://openalex.org/W4210716706","doi":"https://doi.org/10.1093/bib/bbac051","pmid":"https://pubmed.ncbi.nlm.nih.gov/35289359"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbac051","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbac051","pdf_url":"https://academic.oup.com/bib/article-pdf/23/3/bbac051/43745590/bbac051.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://academic.oup.com/bib/article-pdf/23/3/bbac051/43745590/bbac051.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5029472602","display_name":"Liangzhen Zheng","orcid":"https://orcid.org/0000-0003-1179-2106"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210145761","display_name":"Shenzhen Institutes of Advanced Technology","ror":"https://ror.org/04gh4er46","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210145761"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Liangzhen Zheng","raw_affiliation_strings":["Shanghai Zelixir Biotech Company Ltd., Shanghai 200030, China","Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong 518055, China"],"affiliations":[{"raw_affiliation_string":"Shanghai Zelixir Biotech Company Ltd., Shanghai 200030, China","institution_ids":[]},{"raw_affiliation_string":"Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong 518055, China","institution_ids":["https://openalex.org/I4210145761","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056275783","display_name":"Jintao Meng","orcid":"https://orcid.org/0000-0002-6208-4102"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210112812","display_name":"National Supercomputing Center in Shenzhen","ror":"https://ror.org/02291hh73","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210112812"]},{"id":"https://openalex.org/I4210145761","display_name":"Shenzhen Institutes of Advanced Technology","ror":"https://ror.org/04gh4er46","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210145761"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jintao Meng","raw_affiliation_strings":["National Supercomputer Center in Shenzhen, Shenzhen, 518000, China","Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong 518055, China"],"affiliations":[{"raw_affiliation_string":"National Supercomputer Center in Shenzhen, Shenzhen, 518000, China","institution_ids":["https://openalex.org/I4210112812"]},{"raw_affiliation_string":"Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong 518055, China","institution_ids":["https://openalex.org/I4210145761","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103029985","display_name":"Kai Jiang","orcid":"https://orcid.org/0000-0001-9901-5293"},"institutions":[{"id":"https://openalex.org/I3045169105","display_name":"Southern University of Science and Technology","ror":"https://ror.org/049tv2d57","country_code":"CN","type":"education","lineage":["https://openalex.org/I3045169105"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Kai Jiang","raw_affiliation_strings":["Institute of Plant and Food Science, Department of Biology, School of Life Sciences, Southern University of Science and Technology (SUSTech), Shenzhen, Guangdong 518055, China"],"affiliations":[{"raw_affiliation_string":"Institute of Plant and Food Science, Department of Biology, School of Life Sciences, Southern University of Science and Technology (SUSTech), Shenzhen, Guangdong 518055, China","institution_ids":["https://openalex.org/I3045169105"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110799964","display_name":"Haidong Lan","orcid":"https://orcid.org/0000-0002-5231-4015"},"institutions":[{"id":"https://openalex.org/I2250653659","display_name":"Tencent (China)","ror":"https://ror.org/00hhjss72","country_code":"CN","type":"company","lineage":["https://openalex.org/I2250653659"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haidong Lan","raw_affiliation_strings":["Tencent AI Lab, Shenzhen, Guangdong 518000, China"],"affiliations":[{"raw_affiliation_string":"Tencent AI Lab, Shenzhen, Guangdong 518000, China","institution_ids":["https://openalex.org/I2250653659"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101519736","display_name":"Zechen Wang","orcid":"https://orcid.org/0000-0003-4554-133X"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zechen Wang","raw_affiliation_strings":["School of Physics, Shandong University, Jinan, Shandong 250101, China"],"affiliations":[{"raw_affiliation_string":"School of Physics, Shandong University, Jinan, Shandong 250101, China","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007757141","display_name":"Mingzhi Lin","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Mingzhi Lin","raw_affiliation_strings":["Shanghai Zelixir Biotech Company Ltd., Shanghai 200030, China"],"affiliations":[{"raw_affiliation_string":"Shanghai Zelixir Biotech Company Ltd., Shanghai 200030, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007365792","display_name":"Weifeng Li","orcid":"https://orcid.org/0000-0002-0244-2908"},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Weifeng Li","raw_affiliation_strings":["School of Physics, Shandong University, Jinan, Shandong 250101, China"],"affiliations":[{"raw_affiliation_string":"School of Physics, Shandong University, Jinan, Shandong 250101, China","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011577789","display_name":"Hongwei Guo","orcid":"https://orcid.org/0000-0002-7883-9477"},"institutions":[{"id":"https://openalex.org/I3045169105","display_name":"Southern University of Science and Technology","ror":"https://ror.org/049tv2d57","country_code":"CN","type":"education","lineage":["https://openalex.org/I3045169105"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hongwei Guo","raw_affiliation_strings":["Institute of Plant and Food Science, Department of Biology, School of Life Sciences, Southern University of Science and Technology (SUSTech), Shenzhen, Guangdong 518055, China"],"affiliations":[{"raw_affiliation_string":"Institute of Plant and Food Science, Department of Biology, School of Life Sciences, Southern University of Science and Technology (SUSTech), Shenzhen, Guangdong 518055, China","institution_ids":["https://openalex.org/I3045169105"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037823825","display_name":"Yanjie Wei","orcid":"https://orcid.org/0000-0002-4791-7540"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210145761","display_name":"Shenzhen Institutes of Advanced Technology","ror":"https://ror.org/04gh4er46","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210145761"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yanjie Wei","raw_affiliation_strings":["Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong 518055, China"],"affiliations":[{"raw_affiliation_string":"Shenzhen Institute of Advanced Technology, Chinese Academy of Sciences, Shenzhen, Guangdong 518055, China","institution_ids":["https://openalex.org/I4210145761","https://openalex.org/I19820366"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5071286986","display_name":"Yuguang Mu","orcid":"https://orcid.org/0000-0002-2499-026X"},"institutions":[{"id":"https://openalex.org/I172675005","display_name":"Nanyang Technological University","ror":"https://ror.org/02e7b5302","country_code":"SG","type":"education","lineage":["https://openalex.org/I172675005"]}],"countries":["SG"],"is_corresponding":true,"raw_author_name":"Yuguang Mu","raw_affiliation_strings":["School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive 637551, Singapore"],"affiliations":[{"raw_affiliation_string":"School of Biological Sciences, Nanyang Technological University, 60 Nanyang Drive 637551, Singapore","institution_ids":["https://openalex.org/I172675005"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":10,"corresponding_author_ids":["https://openalex.org/A5037823825","https://openalex.org/A5071286986"],"corresponding_institution_ids":["https://openalex.org/I172675005","https://openalex.org/I19820366","https://openalex.org/I4210145761"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":{"value":4011,"currency":"USD","value_usd":4011},"fwci":18.0984,"has_fulltext":false,"cited_by_count":128,"citation_normalized_percentile":{"value":0.99537795,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"23","issue":"3","first_page":null,"last_page":null},"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":0.9966999888420105,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9957000017166138,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6277428865432739},{"id":"https://openalex.org/keywords/term","display_name":"Term (time)","score":0.5692381858825684},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5309281945228577},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4268467128276825},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3462681770324707},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.1989406943321228},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1411837935447693},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.09409508109092712}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6277428865432739},{"id":"https://openalex.org/C61797465","wikidata":"https://www.wikidata.org/wiki/Q1188986","display_name":"Term (time)","level":2,"score":0.5692381858825684},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5309281945228577},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4268467128276825},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3462681770324707},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.1989406943321228},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1411837935447693},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.09409508109092712},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","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":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1093/bib/bbac051","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbac051","pdf_url":"https://academic.oup.com/bib/article-pdf/23/3/bbac051/43745590/bbac051.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:35289359","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35289359","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":"Briefings in bioinformatics","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:9116214","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9116214","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Brief Bioinform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bib/bbac051","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbac051","pdf_url":"https://academic.oup.com/bib/article-pdf/23/3/bbac051/43745590/bbac051.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/14","score":0.7599999904632568,"display_name":"Life below water"}],"awards":[{"id":"https://openalex.org/G4587599806","display_name":null,"funder_award_id":"2018YFB0204403","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G7844063430","display_name":null,"funder_award_id":"11874238","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G840821475","display_name":null,"funder_award_id":"ZR2020JQ04","funder_id":"https://openalex.org/F4320324174","funder_display_name":"Natural Science Foundation of Shandong Province"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320324174","display_name":"Natural Science Foundation of Shandong Province","ror":null},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4210716706.pdf","grobid_xml":"https://content.openalex.org/works/W4210716706.grobid-xml"},"referenced_works_count":69,"referenced_works":["https://openalex.org/W1512801428","https://openalex.org/W1521032781","https://openalex.org/W1527927437","https://openalex.org/W1538131130","https://openalex.org/W1571836963","https://openalex.org/W1941251942","https://openalex.org/W1968319881","https://openalex.org/W1993285168","https://openalex.org/W2028629022","https://openalex.org/W2030286884","https://openalex.org/W2031170123","https://openalex.org/W2046392396","https://openalex.org/W2052030759","https://openalex.org/W2114162221","https://openalex.org/W2116270491","https://openalex.org/W2118226640","https://openalex.org/W2127760066","https://openalex.org/W2128332459","https://openalex.org/W2134967712","https://openalex.org/W2140673705","https://openalex.org/W2148512505","https://openalex.org/W2152964937","https://openalex.org/W2169678694","https://openalex.org/W2216946510","https://openalex.org/W2274656763","https://openalex.org/W2323006395","https://openalex.org/W2398478519","https://openalex.org/W2550887636","https://openalex.org/W2567812636","https://openalex.org/W2583907533","https://openalex.org/W2608559058","https://openalex.org/W2615742986","https://openalex.org/W2781821160","https://openalex.org/W2784213390","https://openalex.org/W2792758786","https://openalex.org/W2902812092","https://openalex.org/W2915888820","https://openalex.org/W2917824377","https://openalex.org/W2948138508","https://openalex.org/W2951676304","https://openalex.org/W2964206522","https://openalex.org/W2969325194","https://openalex.org/W2974531988","https://openalex.org/W2982145277","https://openalex.org/W2983494110","https://openalex.org/W2985816842","https://openalex.org/W3008726875","https://openalex.org/W3021453944","https://openalex.org/W3028815767","https://openalex.org/W3057464021","https://openalex.org/W3080969562","https://openalex.org/W3082411326","https://openalex.org/W3098189759","https://openalex.org/W3104705366","https://openalex.org/W3162155458","https://openalex.org/W3168430821","https://openalex.org/W3177828909","https://openalex.org/W3183475563","https://openalex.org/W3194726356","https://openalex.org/W3194819325","https://openalex.org/W3209909976","https://openalex.org/W4281720176","https://openalex.org/W6640729492","https://openalex.org/W6658052293","https://openalex.org/W6765912032","https://openalex.org/W6767528432","https://openalex.org/W6782168654","https://openalex.org/W6796560204","https://openalex.org/W6800241255"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W4391913857","https://openalex.org/W2358668433","https://openalex.org/W4396701345","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W4396696052"],"abstract_inverted_index":{"Scoring":[0],"functions":[1,44],"are":[2,20,55],"important":[3],"components":[4],"in":[5,165,217],"molecular":[6],"docking":[7,52,122,146],"for":[8,28,51,121,160,209],"structure-based":[9,161,210],"drug":[10,162,211],"discovery.":[11],"Traditional":[12],"scoring":[13,43,67,73,171,196,203],"functions,":[14],"generally":[15],"empirical-":[16],"or":[17,40],"force":[18],"field-based,":[19],"robust":[21],"and":[22,31,53,103,123,136,153,194,213],"have":[23,45],"proven":[24],"to":[25,62,108,148],"be":[26,142,207],"useful":[27,208],"identifying":[29],"hits":[30],"lead":[32],"optimizations.":[33],"Although":[34],"multiple":[35,95,145,175],"highly":[36],"accurate":[37],"deep":[38],"learning-":[39],"machine":[41],"learning-based":[42],"been":[46],"developed,":[47],"their":[48],"direct":[49],"applications":[50,147],"screening":[54,124,154],"limited.":[56],"We":[57],"describe":[58],"a":[59,64,78,166,179,201],"novel":[60],"strategy":[61,172,204],"develop":[63],"reliable":[65],"protein-ligand":[66],"function":[68,74,197],"by":[69],"augmenting":[70],"the":[71,109,112,116,169,184,188],"traditional":[72],"Vina":[75,110,118],"score":[76],"using":[77],"correction":[79,83],"term":[80,84],"(OnionNet-SFCT).":[81],"The":[82],"is":[85,200],"developed":[86],"based":[87,126],"on":[88,127],"an":[89],"AdaBoost":[90],"random":[91],"forest":[92],"model,":[93],"utilizing":[94],"layers":[96],"of":[97,178,190],"contacts":[98],"formed":[99],"between":[100],"protein":[101],"residues":[102],"ligand":[104],"atoms.":[105],"In":[106],"addition":[107],"score,":[111],"model":[113,140,192],"considerably":[114],"enhances":[115],"AutoDock":[117],"prediction":[119],"abilities":[120],"tasks":[125],"different":[128],"benchmarks":[129],"(such":[130],"as":[131],"cross-docking":[132],"dataset,":[133],"CASF-2016,":[134],"DUD-E":[135],"DUD-AD).":[137],"Furthermore,":[138,164],"our":[139],"could":[141,206],"combined":[143,170],"with":[144],"increase":[149],"pose":[150],"selection":[151],"accuracies":[152],"abilities,":[155],"indicating":[156],"its":[157],"wide":[158],"usage":[159],"discoveries.":[163],"reverse":[167],"practice,":[168],"successfully":[173],"identified":[174],"known":[176],"receptors":[177],"plant":[180],"hormone.":[181],"To":[182],"summarize,":[183],"results":[185],"show":[186],"that":[187,205],"combination":[189],"data-driven":[191],"(OnionNet-SFCT)":[193],"empirical":[195],"(Vina":[198],"score)":[199],"good":[202],"discoveries":[212],"potentially":[214],"target":[215],"fishing":[216],"future.":[218]},"counts_by_year":[{"year":2026,"cited_by_count":8},{"year":2025,"cited_by_count":37},{"year":2024,"cited_by_count":41},{"year":2023,"cited_by_count":30},{"year":2022,"cited_by_count":12}],"updated_date":"2026-04-02T15:55:50.835912","created_date":"2025-10-10T00:00:00"}
