{"id":"https://openalex.org/W4406939474","doi":"https://doi.org/10.1186/s13321-024-00945-7","title":"AiGPro: a multi-tasks model for profiling of GPCRs for agonist and antagonist","display_name":"AiGPro: a multi-tasks model for profiling of GPCRs for agonist and antagonist","publication_year":2025,"publication_date":"2025-01-29","ids":{"openalex":"https://openalex.org/W4406939474","doi":"https://doi.org/10.1186/s13321-024-00945-7","pmid":"https://pubmed.ncbi.nlm.nih.gov/39881398"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-024-00945-7","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-024-00945-7","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-024-00945-7","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-024-00945-7","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5000397120","display_name":"Rahul Brahma","orcid":"https://orcid.org/0000-0003-1802-3430"},"institutions":[{"id":"https://openalex.org/I141371507","display_name":"Soongsil University","ror":"https://ror.org/017xnm587","country_code":"KR","type":"education","lineage":["https://openalex.org/I141371507"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Rahul Brahma","raw_affiliation_strings":["School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea","institution_ids":["https://openalex.org/I141371507"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101753988","display_name":"Sung\u2010Hyun Moon","orcid":null},"institutions":[{"id":"https://openalex.org/I141371507","display_name":"Soongsil University","ror":"https://ror.org/017xnm587","country_code":"KR","type":"education","lineage":["https://openalex.org/I141371507"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Sunghyun Moon","raw_affiliation_strings":["School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea","institution_ids":["https://openalex.org/I141371507"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101755466","display_name":"Jaemin Shin","orcid":"https://orcid.org/0000-0003-4771-4564"},"institutions":[{"id":"https://openalex.org/I4210119542","display_name":"KoreaBio","ror":"https://ror.org/02qtf7714","country_code":"KR","type":"facility","lineage":["https://openalex.org/I4210119542"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Jae-Min Shin","raw_affiliation_strings":["AzothBio, Rm. DA724 Hyundai Knowledge Industry Center, Hanam-si, Gyeonggi-do, Republic of Korea. jmshin@azothbio.com","AzothBio, Rm. DA724 Hyundai Knowledge Industry Center, Hanam-si, Gyeonggi-do, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"AzothBio, Rm. DA724 Hyundai Knowledge Industry Center, Hanam-si, Gyeonggi-do, Republic of Korea. jmshin@azothbio.com","institution_ids":["https://openalex.org/I4210119542"]},{"raw_affiliation_string":"AzothBio, Rm. DA724 Hyundai Knowledge Industry Center, Hanam-si, Gyeonggi-do, Republic of Korea","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5017867723","display_name":"Kwang\u2010Hwi Cho","orcid":"https://orcid.org/0000-0001-6064-7680"},"institutions":[{"id":"https://openalex.org/I141371507","display_name":"Soongsil University","ror":"https://ror.org/017xnm587","country_code":"KR","type":"education","lineage":["https://openalex.org/I141371507"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Kwang-Hwi Cho","raw_affiliation_strings":["School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea. chokh@ssu.ac.kr","School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea. chokh@ssu.ac.kr","institution_ids":["https://openalex.org/I141371507"]},{"raw_affiliation_string":"School of Systems Biomedical Science, Soongsil University, 369 Sangdo-ro, Dongjak-gu, 06978, Seoul, Republic of Korea","institution_ids":["https://openalex.org/I141371507"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5101755466"],"corresponding_institution_ids":["https://openalex.org/I4210119542"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":9.1506,"has_fulltext":true,"cited_by_count":12,"citation_normalized_percentile":{"value":0.98138835,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"17","issue":"1","first_page":"12","last_page":"12"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":1.0,"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"}},"topics":[{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":1.0,"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/T10814","display_name":"Neuropeptides and Animal Physiology","score":0.9943000078201294,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9922000169754028,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6764107942581177},{"id":"https://openalex.org/keywords/profiling","display_name":"Profiling (computer programming)","score":0.6411564350128174},{"id":"https://openalex.org/keywords/g-protein-coupled-receptor","display_name":"G protein-coupled receptor","score":0.6183533668518066},{"id":"https://openalex.org/keywords/agonist","display_name":"Agonist","score":0.47026118636131287},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.4443149268627167},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.323208212852478},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.27344077825546265},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.15035444498062134},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.09765797853469849},{"id":"https://openalex.org/keywords/operating-system","display_name":"Operating system","score":0.06714800000190735}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6764107942581177},{"id":"https://openalex.org/C187191949","wikidata":"https://www.wikidata.org/wiki/Q1138496","display_name":"Profiling (computer programming)","level":2,"score":0.6411564350128174},{"id":"https://openalex.org/C135285700","wikidata":"https://www.wikidata.org/wiki/Q38173","display_name":"G protein-coupled receptor","level":3,"score":0.6183533668518066},{"id":"https://openalex.org/C2778938600","wikidata":"https://www.wikidata.org/wiki/Q389934","display_name":"Agonist","level":3,"score":0.47026118636131287},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.4443149268627167},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.323208212852478},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.27344077825546265},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.15035444498062134},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.09765797853469849},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.06714800000190735},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1186/s13321-024-00945-7","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-024-00945-7","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-024-00945-7","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:39881398","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39881398","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 cheminformatics","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:11780767","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11780767","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11780767/pdf/13321_2024_Article_945.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-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"},{"id":"pmh:oai:doaj.org/article:abfc66274d6e4784bce08a05a925cf02","is_oa":true,"landing_page_url":"https://doaj.org/article/abfc66274d6e4784bce08a05a925cf02","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 17, Iss 1, Pp 1-19 (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s13321-024-00945-7","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-024-00945-7","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-024-00945-7","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G3071639259","display_name":null,"funder_award_id":"2021R1","funder_id":"https://openalex.org/F4320322120","funder_display_name":"National Research Foundation of Korea"},{"id":"https://openalex.org/G342704958","display_name":null,"funder_award_id":"funded","funder_id":"https://openalex.org/F4320322120","funder_display_name":"National Research Foundation of Korea"},{"id":"https://openalex.org/G4407363398","display_name":null,"funder_award_id":"2021R1A6A1A10044154","funder_id":"https://openalex.org/F4320322120","funder_display_name":"National Research Foundation of Korea"}],"funders":[{"id":"https://openalex.org/F4320320671","display_name":"National Research Foundation","ror":"https://ror.org/05s0g1g46"},{"id":"https://openalex.org/F4320322105","display_name":"Korea Institute of Science and Technology Information","ror":"https://ror.org/01k4yrm29"},{"id":"https://openalex.org/F4320322120","display_name":"National Research Foundation of Korea","ror":"https://ror.org/013aysd81"},{"id":"https://openalex.org/F4320331505","display_name":"Korea Research Environment Open Network","ror":null},{"id":"https://openalex.org/F4320337308","display_name":"National Institute for International Education","ror":"https://ror.org/04xbpez43"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4406939474.pdf","grobid_xml":"https://content.openalex.org/works/W4406939474.grobid-xml"},"referenced_works_count":52,"referenced_works":["https://openalex.org/W2029021490","https://openalex.org/W2035695460","https://openalex.org/W2056565695","https://openalex.org/W2080589517","https://openalex.org/W2118565754","https://openalex.org/W2295730657","https://openalex.org/W2765153686","https://openalex.org/W2782382515","https://openalex.org/W2790322107","https://openalex.org/W2792726510","https://openalex.org/W2810286481","https://openalex.org/W2921223674","https://openalex.org/W2956586889","https://openalex.org/W2963551522","https://openalex.org/W3014501695","https://openalex.org/W3041357523","https://openalex.org/W3088070507","https://openalex.org/W3110608978","https://openalex.org/W3114392492","https://openalex.org/W3120428435","https://openalex.org/W3121001695","https://openalex.org/W3158492286","https://openalex.org/W3161334897","https://openalex.org/W3214288615","https://openalex.org/W3216825752","https://openalex.org/W3217131733","https://openalex.org/W4200024659","https://openalex.org/W4205365642","https://openalex.org/W4220985889","https://openalex.org/W4226325396","https://openalex.org/W4282960293","https://openalex.org/W4285041843","https://openalex.org/W4293313205","https://openalex.org/W4294576509","https://openalex.org/W4306751673","https://openalex.org/W4309365216","https://openalex.org/W4312094131","https://openalex.org/W4321996988","https://openalex.org/W4366991255","https://openalex.org/W4367844358","https://openalex.org/W4377968189","https://openalex.org/W4378386549","https://openalex.org/W4380085318","https://openalex.org/W4381930465","https://openalex.org/W4382631779","https://openalex.org/W4385198189","https://openalex.org/W4388870560","https://openalex.org/W4389310953","https://openalex.org/W4390221451","https://openalex.org/W4390848002","https://openalex.org/W4391005764","https://openalex.org/W4391037722"],"related_works":["https://openalex.org/W2609050007","https://openalex.org/W3011298851","https://openalex.org/W4224216382","https://openalex.org/W2169619547","https://openalex.org/W3195483439","https://openalex.org/W2444295418","https://openalex.org/W416861399","https://openalex.org/W2171194536","https://openalex.org/W1570378576","https://openalex.org/W1566559296"],"abstract_inverted_index":{"G":[0],"protein-coupled":[1],"receptors":[2],"(GPCRs)":[3],"play":[4],"vital":[5],"roles":[6],"in":[7,154,374,401],"various":[8],"physiological":[9],"processes,":[10],"making":[11,91],"them":[12],"attractive":[13],"drug":[14,23,243,422],"discovery":[15,24],"targets.":[16],"Meanwhile,":[17],"deep":[18,210],"learning":[19],"techniques":[20],"have":[21,194],"revolutionized":[22],"by":[25,290],"facilitating":[26],"efficient":[27],"tools":[28],"for":[29,40,60,96,119,199,222,260,419],"expediting":[30,241],"the":[31,41,87,155,216,253,275,321,327,351],"identification":[32],"and":[33,83,104,124,169,218,339,345,356,378,387,408,416],"optimization":[34],"of":[35,51,143,176,238,249,278,298,317,323,343,363],"ligands.":[36],"However,":[37],"existing":[38],"models":[39,114,306],"GPCRs":[42,52,223],"often":[43],"focus":[44],"on":[45,182,229,309],"single-target":[46],"or":[47,53,283],"a":[48,72,93,151,173,179,196,209,230,246,256,291,295,313,333,360,392,398,414],"small":[49,79,125],"subset":[50],"employ":[54],"binary":[55],"classification,":[56],"constraining":[57],"their":[58],"applicability":[59],"high":[61],"throughput":[62],"virtual":[63,410],"screening.":[64],"To":[65,189],"address":[66],"these":[67],"issues,":[68],"we":[69,193,396],"introduce":[70,208],"AiGPro,":[71],"novel":[73,334],"multitask":[74],"model":[75,165,200,213,226,325,352,394],"designed":[76],"to":[77,214,234],"predict":[78,167],"molecule":[80,126],"agonists":[81],"(EC<sub>50</sub>)":[82],"antagonists":[84],"(IC<sub>50</sub>)":[85],"across":[86,172,380],"231":[88,250],"human":[89],"GPCRs,":[90,177],"it":[92],"first-in-class":[94,163],"solution":[95,259,418],"large-scale":[97],"GPCR":[98,122,156,251,382,402],"profiling.":[99],"Leveraging":[100],"multi-scale":[101],"context":[102],"aggregation":[103],"bidirectional":[105],"multi-head":[106],"cross-attention":[107],"mechanisms,":[108],"our":[109,162,324],"approach":[110,370],"demonstrates":[111],"that":[112,336,368],"ensemble":[113],"may":[115],"not":[116],"be":[117],"necessary":[118],"predicting":[120],"complex":[121],"states":[123],"interactions.":[127,319,365],"Through":[128],"extensive":[129],"validation":[130],"using":[131],"stratified":[132],"tenfold":[133],"cross-validation,":[134],"AiGPro":[135],"achieves":[136],"robust":[137],"performance":[138],"with":[139],"Pearson's":[140],"correlation":[141],"coefficient":[142],"0.91,":[144],"indicating":[145],"broad":[146],"generalizability.":[147],"This":[148,301,404],"breakthrough":[149],"sets":[150],"new":[152],"standard":[153],"studies,":[157],"outperforming":[158],"previous":[159],"studies.":[160],"Moreover,":[161],"multi-tasking":[164],"can":[166],"agonist":[168,217,386],"antagonist":[170,219,388],"activities":[171],"wide":[174],"range":[175],"offering":[178,294,413],"comprehensive":[180,315],"perspective":[181],"ligand":[183,346],"bioactivity":[184,220,389],"within":[185],"this":[186,369],"diverse":[187,247,381],"superfamily.":[188],"facilitate":[190,235],"easy":[191],"accessibility,":[192],"deployed":[195],"web-based":[197],"platform":[198,254],"access":[201],"at":[202],"https://aicadd.ssu.ac.kr/AiGPro":[203],".":[204],"Scientific":[205],"Contribution":[206],"We":[207],"learning-based":[211],"multi-task":[212],"generalize":[215],"prediction":[221,272,286,390,406],"accurately.":[224],"The":[225,265],"is":[227,287,371],"implemented":[228],"user-friendly":[231],"web":[232],"server":[233],"rapid":[236],"screening":[237,411],"small-molecule":[239],"libraries,":[240],"GPCR-targeted":[242,421],"discovery.":[244,423],"Covering":[245],"set":[248],"targets,":[252],"delivers":[255],"robust,":[257],"scalable":[258],"advancing":[261,420],"GPCR-focused":[262],"therapeutic":[263],"development.":[264],"proposed":[266],"framework":[267],"incorporates":[268],"an":[269],"innovative":[270,417],"dual-label":[271],"strategy,":[273],"enabling":[274],"simultaneous":[276],"classification":[277],"molecules":[279],"as":[280],"agonists,":[281],"antagonists,":[282],"both.":[284],"Each":[285],"further":[288],"accompanied":[289],"confidence":[292],"score,":[293],"quantitative":[296],"measure":[297],"activity":[299],"likelihood.":[300],"advancement":[302],"moves":[303],"beyond":[304],"conventional":[305],"focusing":[307],"solely":[308],"binding":[310,375],"affinity,":[311],"providing":[312],"more":[314],"understanding":[316],"ligand-receptor":[318],"At":[320],"core":[322],"lies":[326],"Bi-Directional":[328],"Multi-Head":[329],"Cross-Attention":[330],"(BMCA)":[331],"module,":[332],"architecture":[335],"captures":[337],"forward":[338],"backward":[340],"contextual":[341],"embeddings":[342],"protein":[344],"features.":[347],"By":[348,384],"leveraging":[349],"BMCA,":[350],"effectively":[353],"integrates":[354],"structural":[355],"sequence-level":[357],"information,":[358],"ensuring":[359],"precise":[361],"representation":[362],"molecular":[364],"Results":[366],"show":[367],"highly":[372],"accurate":[373],"affinity":[376],"predictions":[377],"consistent":[379],"families.":[383],"unifying":[385],"into":[391],"single":[393],"architecture,":[395],"bridge":[397],"critical":[399],"gap":[400],"modeling.":[403],"enhances":[405],"accuracy":[407],"accelerates":[409],"workflows,":[412],"valuable":[415]},"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":6}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}