{"id":"https://openalex.org/W4406328702","doi":"https://doi.org/10.1093/bib/bbae712","title":"Exploring the potential of compound\u2013protein complex structure-free models in virtual screening using BlendNet","display_name":"Exploring the potential of compound\u2013protein complex structure-free models in virtual screening using BlendNet","publication_year":2024,"publication_date":"2024-11-22","ids":{"openalex":"https://openalex.org/W4406328702","doi":"https://doi.org/10.1093/bib/bbae712","pmid":"https://pubmed.ncbi.nlm.nih.gov/39804143"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbae712","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbae712","pdf_url":"https://academic.oup.com/bib/article-pdf/26/1/bbae712/61425867/bbae712.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"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":"Briefings in Bioinformatics","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/bib/article-pdf/26/1/bbae712/61425867/bbae712.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5102777941","display_name":"Sangmin Seo","orcid":"https://orcid.org/0000-0003-4883-3987"},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Sangmin Seo","raw_affiliation_strings":["Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,","UBLBio Corporation , Yeongtong-ro 237, Suwon, 16679, Gyeonggi-do ,"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,","institution_ids":["https://openalex.org/I193775966"]},{"raw_affiliation_string":"UBLBio Corporation , Yeongtong-ro 237, Suwon, 16679, Gyeonggi-do ,","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011665600","display_name":"Hwanhee Kim","orcid":"https://orcid.org/0000-0001-6563-9110"},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Hwanhee Kim","raw_affiliation_strings":["Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100351760","display_name":"Jieun Lee","orcid":"https://orcid.org/0000-0003-0609-4370"},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Jieun Lee","raw_affiliation_strings":["Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100992535","display_name":"Seungyeon Choi","orcid":null},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Seungyeon Choi","raw_affiliation_strings":["Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100322270","display_name":"Sanghyun Park","orcid":"https://orcid.org/0000-0002-5196-6193"},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Sanghyun Park","raw_affiliation_strings":["Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Yonsei University , Yonsei-ro 50, Seodaemun-gu, 03722, Seoul ,","institution_ids":["https://openalex.org/I193775966"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5102777941"],"corresponding_institution_ids":["https://openalex.org/I193775966"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":{"value":4011,"currency":"USD","value_usd":4011},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.30534375,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"26","issue":"1","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":0.9998999834060669,"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":0.9998999834060669,"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":0.9965000152587891,"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":0.9896000027656555,"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/computer-science","display_name":"Computer science","score":0.7166615128517151},{"id":"https://openalex.org/keywords/limiting","display_name":"Limiting","score":0.6773243546485901},{"id":"https://openalex.org/keywords/interdependence","display_name":"Interdependence","score":0.5790343284606934},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.5036916136741638},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4871322810649872},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4709499776363373},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.45752108097076416},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.435337632894516},{"id":"https://openalex.org/keywords/drug-target","display_name":"Drug target","score":0.41602790355682373},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.36660945415496826},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.23362663388252258},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.17957061529159546},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.09465053677558899},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.07820045948028564}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7166615128517151},{"id":"https://openalex.org/C188198153","wikidata":"https://www.wikidata.org/wiki/Q1613840","display_name":"Limiting","level":2,"score":0.6773243546485901},{"id":"https://openalex.org/C185874996","wikidata":"https://www.wikidata.org/wiki/Q269699","display_name":"Interdependence","level":2,"score":0.5790343284606934},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.5036916136741638},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4871322810649872},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4709499776363373},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.45752108097076416},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.435337632894516},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.41602790355682373},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.36660945415496826},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.23362663388252258},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.17957061529159546},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.09465053677558899},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.07820045948028564},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C78519656","wikidata":"https://www.wikidata.org/wiki/Q101333","display_name":"Mechanical engineering","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":null,"qualifier_name":null,"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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","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":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","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":"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":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1093/bib/bbae712","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbae712","pdf_url":"https://academic.oup.com/bib/article-pdf/26/1/bbae712/61425867/bbae712.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"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":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:39804143","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39804143","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:11726592","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11726592","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11726592/pdf/bbae712.pdf","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-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Brief Bioinform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bib/bbae712","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbae712","pdf_url":"https://academic.oup.com/bib/article-pdf/26/1/bbae712/61425867/bbae712.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"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":"Briefings in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.4099999964237213,"display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G4634960091","display_name":null,"funder_award_id":"RS-2023-00229822","funder_id":"https://openalex.org/F4320328359","funder_display_name":"Ministry of Science and ICT, South Korea"}],"funders":[{"id":"https://openalex.org/F4320320671","display_name":"National Research Foundation","ror":"https://ror.org/05s0g1g46"},{"id":"https://openalex.org/F4320328359","display_name":"Ministry of Science and ICT, South Korea","ror":"https://ror.org/01wpjm123"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4406328702.pdf","grobid_xml":"https://content.openalex.org/works/W4406328702.grobid-xml"},"referenced_works_count":50,"referenced_works":["https://openalex.org/W1968319881","https://openalex.org/W1988564488","https://openalex.org/W1995089537","https://openalex.org/W2015461838","https://openalex.org/W2023818227","https://openalex.org/W2037849836","https://openalex.org/W2071857893","https://openalex.org/W2096864392","https://openalex.org/W2112937261","https://openalex.org/W2114162221","https://openalex.org/W2132313892","https://openalex.org/W2148512505","https://openalex.org/W2467309505","https://openalex.org/W2620998958","https://openalex.org/W2809216727","https://openalex.org/W2887981960","https://openalex.org/W2889677957","https://openalex.org/W2965100203","https://openalex.org/W2994844251","https://openalex.org/W3016296419","https://openalex.org/W3019745511","https://openalex.org/W3028589594","https://openalex.org/W3029836473","https://openalex.org/W3030018498","https://openalex.org/W3084346878","https://openalex.org/W3109549311","https://openalex.org/W3129321183","https://openalex.org/W3140655290","https://openalex.org/W3151148247","https://openalex.org/W3159177617","https://openalex.org/W3159276577","https://openalex.org/W3172303648","https://openalex.org/W3177500196","https://openalex.org/W3189949217","https://openalex.org/W4200547951","https://openalex.org/W4200584507","https://openalex.org/W4205737948","https://openalex.org/W4210842338","https://openalex.org/W4224981527","https://openalex.org/W4225435640","https://openalex.org/W4285041843","https://openalex.org/W4290998851","https://openalex.org/W4317776906","https://openalex.org/W4365455552","https://openalex.org/W4367042263","https://openalex.org/W4381799391","https://openalex.org/W4384564528","https://openalex.org/W4387761568","https://openalex.org/W4389479893","https://openalex.org/W4390055243"],"related_works":["https://openalex.org/W2059230675","https://openalex.org/W2376003823","https://openalex.org/W4402273478","https://openalex.org/W2594726310","https://openalex.org/W2355193834","https://openalex.org/W2593647790","https://openalex.org/W2553548503","https://openalex.org/W1967404732","https://openalex.org/W2226749982","https://openalex.org/W3045995536"],"abstract_inverted_index":{"Identifying":[0],"new":[1],"compounds":[2,92],"that":[3,45,75],"interact":[4],"with":[5,102],"a":[6,9,56,73,77],"target":[7],"is":[8],"crucial":[10],"time-limiting":[11],"step":[12],"in":[13],"the":[14,88],"initial":[15],"phases":[16],"of":[17,118],"drug":[18,136],"discovery.":[19],"Compound-protein":[20],"complex":[21,37,50,99,126],"structure-based":[22],"affinity":[23,63,83,106],"prediction":[24,84],"models":[25,44,104],"can":[26],"expedite":[27],"this":[28],"process;":[29],"however,":[30,60],"their":[31,40],"dependence":[32],"on":[33,97],"high-quality":[34],"three-dimensional":[35],"(3D)":[36],"structures":[38,51],"limits":[39],"practical":[41],"application.":[42],"Prediction":[43],"do":[46],"not":[47],"require":[48],"3D":[49,98],"for":[52,105],"binding-affinity":[53],"estimation":[54],"offer":[55],"theoretically":[57],"attractive":[58],"alternative;":[59],"accurately":[61],"predicting":[62],"without":[64,95,124],"interaction":[65],"information":[66],"presents":[67],"significant":[68],"challenges.":[69],"We":[70],"introduce":[71],"BlendNet,":[72],"framework":[74],"employs":[76],"knowledge":[78],"transfer":[79],"strategy":[80],"to":[81,120,132],"improve":[82],"accuracy":[85],"by":[86],"learning":[87],"interdependent":[89],"relationships":[90],"between":[91],"and":[93,134],"proteins":[94],"relying":[96],"structures.":[100],"Compared":[101],"state-of-the-art":[103],"prediction,":[107],"BlendNet":[108,119],"demonstrated":[109],"superior":[110],"performance":[111],"across":[112],"various":[113],"cold-start":[114],"cases.":[115],"The":[116],"ability":[117],"interpret":[121],"compound-protein":[122],"interactions":[123],"utilizing":[125],"structure":[127],"data":[128],"highlights":[129],"its":[130],"potential":[131],"accelerate":[133],"streamline":[135],"development.":[137]},"counts_by_year":[],"updated_date":"2026-03-10T14:07:55.174380","created_date":"2025-10-10T00:00:00"}
