{"id":"https://openalex.org/W7126101614","doi":"https://doi.org/10.1109/bibm66473.2025.11356476","title":"DeepDICI: Accurately Predicting Drug-Ion Channel Interactions via Deep Learning with Dynamic Structural Features","display_name":"DeepDICI: Accurately Predicting Drug-Ion Channel Interactions via Deep Learning with Dynamic Structural Features","publication_year":2025,"publication_date":"2025-12-15","ids":{"openalex":"https://openalex.org/W7126101614","doi":"https://doi.org/10.1109/bibm66473.2025.11356476"},"language":null,"primary_location":{"id":"doi:10.1109/bibm66473.2025.11356476","is_oa":false,"landing_page_url":"https://doi.org/10.1109/bibm66473.2025.11356476","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2025 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)","raw_type":"proceedings-article"},"type":"conference-paper","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5124163704","display_name":"Rui Tang","orcid":null},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Rui Tang","raw_affiliation_strings":["School of Computer Science Engineering, Central South University,Changsha,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science Engineering, Central South University,Changsha,China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081430592","display_name":"Zhangli Lu","orcid":null},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhangli Lu","raw_affiliation_strings":["School of Computer Science Engineering, Central South University,Changsha,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science Engineering, Central South University,Changsha,China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5124165259","display_name":"Zhicun Zeng","orcid":null},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhicun Zeng","raw_affiliation_strings":["School of Computer Science Engineering, Central South University,Changsha,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science Engineering, Central South University,Changsha,China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044328870","display_name":"Ruiqing Zheng","orcid":"https://orcid.org/0000-0001-6372-6798"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ruiqing Zheng","raw_affiliation_strings":["School of Computer Science Engineering, Central South University,Changsha,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science Engineering, Central South University,Changsha,China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027492750","display_name":"M. Zeng","orcid":null},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Min Zeng","raw_affiliation_strings":["School of Computer Science Engineering, Central South University,Changsha,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science Engineering, Central South University,Changsha,China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5124267017","display_name":"Min Li","orcid":null},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Min Li","raw_affiliation_strings":["School of Computer Science Engineering, Central South University,Changsha,China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science Engineering, Central South University,Changsha,China","institution_ids":["https://openalex.org/I139660479"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I139660479"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"6"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.4666999876499176,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.4666999876499176,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.16349999606609344,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.1136000007390976,"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/robustness","display_name":"Robustness (evolution)","score":0.6852999925613403},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.663100004196167},{"id":"https://openalex.org/keywords/bridging","display_name":"Bridging (networking)","score":0.6003999710083008},{"id":"https://openalex.org/keywords/channel","display_name":"Channel (broadcasting)","score":0.49079999327659607},{"id":"https://openalex.org/keywords/focus","display_name":"Focus (optics)","score":0.4293000102043152},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.382099986076355},{"id":"https://openalex.org/keywords/drug-target","display_name":"Drug target","score":0.362199991941452}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7559000253677368},{"id":"https://openalex.org/C63479239","wikidata":"https://www.wikidata.org/wiki/Q7353546","display_name":"Robustness (evolution)","level":3,"score":0.6852999925613403},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.663100004196167},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6473000049591064},{"id":"https://openalex.org/C174348530","wikidata":"https://www.wikidata.org/wiki/Q188635","display_name":"Bridging (networking)","level":2,"score":0.6003999710083008},{"id":"https://openalex.org/C127162648","wikidata":"https://www.wikidata.org/wiki/Q16858953","display_name":"Channel (broadcasting)","level":2,"score":0.49079999327659607},{"id":"https://openalex.org/C192209626","wikidata":"https://www.wikidata.org/wiki/Q190909","display_name":"Focus (optics)","level":2,"score":0.4293000102043152},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4081000089645386},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.382099986076355},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.362199991941452},{"id":"https://openalex.org/C2776760102","wikidata":"https://www.wikidata.org/wiki/Q5139990","display_name":"Code (set theory)","level":3,"score":0.349700003862381},{"id":"https://openalex.org/C43126263","wikidata":"https://www.wikidata.org/wiki/Q128751","display_name":"Source code","level":2,"score":0.336899995803833},{"id":"https://openalex.org/C81669768","wikidata":"https://www.wikidata.org/wiki/Q2359161","display_name":"Precision and recall","level":2,"score":0.32420000433921814},{"id":"https://openalex.org/C73301696","wikidata":"https://www.wikidata.org/wiki/Q5469984","display_name":"Formalism (music)","level":3,"score":0.29330000281333923},{"id":"https://openalex.org/C26022165","wikidata":"https://www.wikidata.org/wiki/Q8091","display_name":"Grammar","level":2,"score":0.27459999918937683},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.2630000114440918},{"id":"https://openalex.org/C137293760","wikidata":"https://www.wikidata.org/wiki/Q3621696","display_name":"Language model","level":2,"score":0.26080000400543213},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.2526000142097473},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.250900000333786}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/bibm66473.2025.11356476","is_oa":false,"landing_page_url":"https://doi.org/10.1109/bibm66473.2025.11356476","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2025 IEEE International Conference on Bioinformatics and Biomedicine (BIBM)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/4","display_name":"Quality Education","score":0.420832097530365}],"awards":[{"id":"https://openalex.org/G1500328589","display_name":null,"funder_award_id":"2023YFF1205500","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G8663586063","display_name":null,"funder_award_id":"62225209","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/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":22,"referenced_works":["https://openalex.org/W1992898686","https://openalex.org/W2034537627","https://openalex.org/W2096864392","https://openalex.org/W2141494494","https://openalex.org/W2152630148","https://openalex.org/W2271736303","https://openalex.org/W2301186499","https://openalex.org/W2558217333","https://openalex.org/W2790808809","https://openalex.org/W2922701384","https://openalex.org/W2924648213","https://openalex.org/W2989848927","https://openalex.org/W3028589594","https://openalex.org/W3136918052","https://openalex.org/W3198309687","https://openalex.org/W4205171481","https://openalex.org/W4283066927","https://openalex.org/W4323256897","https://openalex.org/W4388615774","https://openalex.org/W4392913700","https://openalex.org/W4399117872","https://openalex.org/W4408468939"],"related_works":[],"abstract_inverted_index":{"Ion":[0],"channels":[1],"are":[2,198],"critical":[3],"targets":[4,28],"in":[5,13,40,116,145,157],"drug":[6,27,100,180],"development":[7],"and":[8,42,83,133,153,174,194],"play":[9],"an":[10],"important":[11],"role":[12],"the":[14,88,107,123,166],"treatment":[15],"of":[16,90,110,126,147,159],"various":[17],"diseases.":[18],"However,":[19],"existing":[20],"prediction":[21,127],"methods":[22],"either":[23],"generalize":[24],"across":[25],"all":[26],"or":[29],"focus":[30],"narrowly":[31],"on":[32],"specific":[33],"ion":[34,178],"channel":[35,91,103,163],"proteins,":[36],"leading":[37],"to":[38,64,75],"limitations":[39],"accuracy":[41,160],"versatility.":[43],"In":[44,93],"this":[45],"study,":[46],"we":[47],"propose":[48],"DeepDICI,":[49],"a":[50,71,95,142,154,172],"novel":[51,150],"deep":[52],"learning":[53],"framework":[54],"that":[55,120,169],"integrates":[56],"topology-aware":[57],"protein":[58,190],"embeddings":[59],"with":[60,102,185],"spatial-channel":[61],"interaction":[62],"modeling":[63],"overcome":[65],"these":[66],"challenges.":[67],"Our":[68],"approach":[69],"leverages":[70],"LLaMA3-style":[72],"language":[73],"model":[74],"capture":[76],"longrange":[77],"structural":[78],"dependencies":[79],"between":[80],"transmembrane":[81],"segments":[82],"cytoplasmic":[84],"domains,":[85,105],"effectively":[86],"simulating":[87],"grammar":[89],"folding.":[92],"addition,":[94],"Cross-Attention":[96],"network":[97],"dynamically":[98],"aligns":[99],"substructures":[101],"functional":[104],"enabling":[106],"precise":[108],"identification":[109],"state-dependent":[111],"binding":[112],"interfaces.":[113],"Comprehensive":[114],"evaluations":[115],"multiple":[117],"scenarios":[118],"demonstrate":[119],"DeepDICI":[121,170,197],"achieves":[122],"highest":[124],"precision":[125],"<tex":[128],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"":[129],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">$(P":[130],"R":[131],"C&gt;0.98)$</tex>":[132],"maintains":[134],"exceptional":[135],"robustness":[136],"under":[137],"cold":[138],"start":[139],"conditions,":[140],"showing":[141],"28.9%":[143],"improvement":[144],"terms":[146,158],"recall":[148],"for":[149,161,177,196],"chemical":[151],"scaffolds":[152],"14.3%":[155],"increase":[156],"unseen":[162],"targets.":[164],"All":[165],"results":[167],"indicate":[168],"represents":[171],"unified":[173],"interpretable":[175],"paradigm":[176],"channel-targeted":[179],"discovery,":[181],"bridging":[182],"computational":[183],"predictions":[184],"biophysical":[186],"insights":[187],"into":[188],"structuredynamic":[189],"systems.":[191],"The":[192],"code":[193],"datasets":[195],"freely":[199],"available":[200],"at":[201],"https://github.com/CSUBioGroup/DeepDICI.":[202]},"counts_by_year":[],"updated_date":"2026-07-15T18:14:33.161393","created_date":"2026-01-30T00:00:00"}