{"id":"https://openalex.org/W4405639953","doi":"https://doi.org/10.1186/s13321-024-00930-0","title":"Interface-aware molecular generative framework for protein\u2013protein interaction modulators","display_name":"Interface-aware molecular generative framework for protein\u2013protein interaction modulators","publication_year":2024,"publication_date":"2024-12-20","ids":{"openalex":"https://openalex.org/W4405639953","doi":"https://doi.org/10.1186/s13321-024-00930-0","pmid":"https://pubmed.ncbi.nlm.nih.gov/39707457"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-024-00930-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-024-00930-0","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-024-00930-0","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/s13321-024-00930-0","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100373521","display_name":"Jianmin Wang","orcid":"https://orcid.org/0000-0001-8910-0929"},"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":"Jianmin Wang","raw_affiliation_strings":["Department of Integrative Biotechnology, Yonsei University, Incheon, 21983, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Integrative Biotechnology, Yonsei University, Incheon, 21983, Republic of Korea","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086116475","display_name":"Jiashun Mao","orcid":"https://orcid.org/0000-0002-3545-354X"},"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":"Jiashun Mao","raw_affiliation_strings":["Department of Integrative Biotechnology, Yonsei University, Incheon, 21983, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Integrative Biotechnology, Yonsei University, Incheon, 21983, Republic of Korea","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100409235","display_name":"Chunyan Li","orcid":"https://orcid.org/0000-0003-3014-3363"},"institutions":[{"id":"https://openalex.org/I120825670","display_name":"Yunnan Normal University","ror":"https://ror.org/00sc9n023","country_code":"CN","type":"education","lineage":["https://openalex.org/I120825670"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chunyan Li","raw_affiliation_strings":["School of Informatics, Yunnan Normal University, Kunming, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Informatics, Yunnan Normal University, Kunming, China","institution_ids":["https://openalex.org/I120825670"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000226430","display_name":"Hongxin Xiang","orcid":"https://orcid.org/0000-0001-8345-8735"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hongxin Xiang","raw_affiliation_strings":["College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, Hunan, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, Hunan, China","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100333854","display_name":"Xun Wang","orcid":"https://orcid.org/0000-0002-2741-433X"},"institutions":[{"id":"https://openalex.org/I4210162190","display_name":"China University of Petroleum, East China","ror":"https://ror.org/05gbn2817","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210162190"]},{"id":"https://openalex.org/I4210165038","display_name":"University of Chinese Academy of Sciences","ror":"https://ror.org/05qbk4x57","country_code":"CN","type":"education","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210165038"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xun Wang","raw_affiliation_strings":["High Performance Computer Research Center, University of Chinese Academy of Sciences, Beijing, 100190, China","School of Computer Science and Technology, China University of Petroleum, Qingdao, 266580, Shandong, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"High Performance Computer Research Center, University of Chinese Academy of Sciences, Beijing, 100190, China","institution_ids":["https://openalex.org/I4210165038"]},{"raw_affiliation_string":"School of Computer Science and Technology, China University of Petroleum, Qingdao, 266580, Shandong, China","institution_ids":["https://openalex.org/I4210162190"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100375587","display_name":"Shuang Wang","orcid":"https://orcid.org/0000-0002-6779-9537"},"institutions":[{"id":"https://openalex.org/I4210162190","display_name":"China University of Petroleum, East China","ror":"https://ror.org/05gbn2817","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210162190"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shuang Wang","raw_affiliation_strings":["School of Computer Science and Technology, China University of Petroleum, Qingdao, 266580, Shandong, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science and Technology, China University of Petroleum, Qingdao, 266580, Shandong, China","institution_ids":["https://openalex.org/I4210162190"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100690879","display_name":"Zixu Wang","orcid":"https://orcid.org/0000-0002-6809-4088"},"institutions":[{"id":"https://openalex.org/I146399215","display_name":"University of Tsukuba","ror":"https://ror.org/02956yf07","country_code":"JP","type":"education","lineage":["https://openalex.org/I146399215"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Zixu Wang","raw_affiliation_strings":["Department of Computer Science, University of Tsukuba, Tsukuba, 3058577, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, University of Tsukuba, Tsukuba, 3058577, Japan","institution_ids":["https://openalex.org/I146399215"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100760185","display_name":"Yangyang Chen","orcid":"https://orcid.org/0000-0002-3521-475X"},"institutions":[{"id":"https://openalex.org/I146399215","display_name":"University of Tsukuba","ror":"https://ror.org/02956yf07","country_code":"JP","type":"education","lineage":["https://openalex.org/I146399215"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Yangyang Chen","raw_affiliation_strings":["Department of Computer Science, University of Tsukuba, Tsukuba, 3058577, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, University of Tsukuba, Tsukuba, 3058577, Japan","institution_ids":["https://openalex.org/I146399215"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101870869","display_name":"Yuquan Li","orcid":"https://orcid.org/0000-0003-2756-0449"},"institutions":[{"id":"https://openalex.org/I76214153","display_name":"Lanzhou University","ror":"https://ror.org/01mkqqe32","country_code":"CN","type":"education","lineage":["https://openalex.org/I76214153"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuquan Li","raw_affiliation_strings":["College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou, China","institution_ids":["https://openalex.org/I76214153"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055744835","display_name":"Kyoung Tai No","orcid":"https://orcid.org/0000-0003-3187-8193"},"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":"Kyoung Tai No","raw_affiliation_strings":["Department of Integrative Biotechnology, Yonsei University, Incheon, 21983, Republic of Korea. ktno@yonsei.ac.kr","Department of Integrative Biotechnology, Yonsei University, Incheon, 21983, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Integrative Biotechnology, Yonsei University, Incheon, 21983, Republic of Korea. ktno@yonsei.ac.kr","institution_ids":["https://openalex.org/I193775966"]},{"raw_affiliation_string":"Department of Integrative Biotechnology, Yonsei University, Incheon, 21983, Republic of Korea","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006420025","display_name":"Tao Song","orcid":"https://orcid.org/0000-0002-0130-3340"},"institutions":[{"id":"https://openalex.org/I4210162190","display_name":"China University of Petroleum, East China","ror":"https://ror.org/05gbn2817","country_code":"CN","type":"education","lineage":["https://openalex.org/I4210162190"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Tao Song","raw_affiliation_strings":["School of Computer Science and Technology, China University of Petroleum, Qingdao, 266580, Shandong, China. tsong@upc.edu.cn","School of Computer Science and Technology, China University of Petroleum, Qingdao, 266580, Shandong, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science and Technology, China University of Petroleum, Qingdao, 266580, Shandong, China. tsong@upc.edu.cn","institution_ids":["https://openalex.org/I4210162190"]},{"raw_affiliation_string":"School of Computer Science and Technology, China University of Petroleum, Qingdao, 266580, Shandong, China","institution_ids":["https://openalex.org/I4210162190"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5027286013","display_name":"Xiangxiang Zeng","orcid":"https://orcid.org/0000-0003-1081-7658"},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xiangxiang Zeng","raw_affiliation_strings":["College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, Hunan, China. xzeng@hnu.edu.cn","College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, Hunan, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, Hunan, China. xzeng@hnu.edu.cn","institution_ids":["https://openalex.org/I16609230"]},{"raw_affiliation_string":"College of Computer Science and Electronic Engineering, Hunan University, Changsha, 410082, Hunan, China","institution_ids":["https://openalex.org/I16609230"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5006420025","https://openalex.org/A5027286013","https://openalex.org/A5055744835"],"corresponding_institution_ids":["https://openalex.org/I16609230","https://openalex.org/I193775966","https://openalex.org/I4210162190"],"apc_list":{"value":2190,"currency":"USD","value_usd":2190},"apc_paid":{"value":2190,"currency":"USD","value_usd":2190},"fwci":2.5637,"has_fulltext":true,"cited_by_count":10,"citation_normalized_percentile":{"value":0.90941565,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"16","issue":"1","first_page":"142","last_page":"142"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9979000091552734,"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":0.9979000091552734,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9900000095367432,"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/T10932","display_name":"Microbial Metabolic Engineering and Bioproduction","score":0.9789000153541565,"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/computer-science","display_name":"Computer science","score":0.7276805639266968},{"id":"https://openalex.org/keywords/interface","display_name":"Interface (matter)","score":0.6471680402755737},{"id":"https://openalex.org/keywords/protein\u2013protein-interaction","display_name":"Protein\u2013protein interaction","score":0.5419221520423889},{"id":"https://openalex.org/keywords/generative-grammar","display_name":"Generative grammar","score":0.5364288687705994},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3697759211063385},{"id":"https://openalex.org/keywords/human\u2013computer-interaction","display_name":"Human\u2013computer interaction","score":0.3616166114807129},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3016689419746399},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.20037606358528137},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.14710888266563416},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.12508687376976013}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7276805639266968},{"id":"https://openalex.org/C113843644","wikidata":"https://www.wikidata.org/wiki/Q901882","display_name":"Interface (matter)","level":4,"score":0.6471680402755737},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.5419221520423889},{"id":"https://openalex.org/C39890363","wikidata":"https://www.wikidata.org/wiki/Q36108","display_name":"Generative grammar","level":2,"score":0.5364288687705994},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3697759211063385},{"id":"https://openalex.org/C107457646","wikidata":"https://www.wikidata.org/wiki/Q207434","display_name":"Human\u2013computer interaction","level":1,"score":0.3616166114807129},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3016689419746399},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.20037606358528137},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.14710888266563416},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.12508687376976013},{"id":"https://openalex.org/C157915830","wikidata":"https://www.wikidata.org/wiki/Q2928001","display_name":"Bubble","level":2,"score":0.0},{"id":"https://openalex.org/C129307140","wikidata":"https://www.wikidata.org/wiki/Q6795880","display_name":"Maximum bubble pressure method","level":3,"score":0.0},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1186/s13321-024-00930-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-024-00930-0","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-024-00930-0","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:39707457","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39707457","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:11662471","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11662471","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11662471/pdf/13321_2024_Article_930.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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:2d7e57c6171c4fbfa23fb40d95542a4d","is_oa":false,"landing_page_url":"https://doaj.org/article/2d7e57c6171c4fbfa23fb40d95542a4d","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-18 (2024)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/s13321-024-00930-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-024-00930-0","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-024-00930-0","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/G268992786","display_name":null,"funder_award_id":"U22A2037","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G307768753","display_name":null,"funder_award_id":"62272479","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5477186794","display_name":null,"funder_award_id":"62122025","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6093738109","display_name":null,"funder_award_id":"62202498","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6197502279","display_name":null,"funder_award_id":"62432011","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6683504761","display_name":null,"funder_award_id":"ZR2021QF023","funder_id":"https://openalex.org/F4320324174","funder_display_name":"Natural Science Foundation of Shandong Province"},{"id":"https://openalex.org/G7403065677","display_name":null,"funder_award_id":"62372469","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G771689064","display_name":null,"funder_award_id":"62450002","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8914552600","display_name":null,"funder_award_id":"62425204","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/F4320321314","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96"},{"id":"https://openalex.org/F4320324174","display_name":"Natural Science Foundation of Shandong Province","ror":null}],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W4405639953.pdf"},"referenced_works_count":89,"referenced_works":["https://openalex.org/W1526066878","https://openalex.org/W1526151739","https://openalex.org/W1975447903","https://openalex.org/W1979814868","https://openalex.org/W1981737096","https://openalex.org/W1994803330","https://openalex.org/W2003516462","https://openalex.org/W2034549041","https://openalex.org/W2042572511","https://openalex.org/W2043919191","https://openalex.org/W2056169996","https://openalex.org/W2067305633","https://openalex.org/W2096541451","https://openalex.org/W2101181377","https://openalex.org/W2116341502","https://openalex.org/W2128247932","https://openalex.org/W2132525235","https://openalex.org/W2132629607","https://openalex.org/W2138380905","https://openalex.org/W2155589321","https://openalex.org/W2161069579","https://openalex.org/W2197008132","https://openalex.org/W2200017991","https://openalex.org/W2293886700","https://openalex.org/W2296686360","https://openalex.org/W2306570595","https://openalex.org/W2437823009","https://openalex.org/W2507264141","https://openalex.org/W2565684601","https://openalex.org/W2578240541","https://openalex.org/W2589060305","https://openalex.org/W2745208859","https://openalex.org/W2769860552","https://openalex.org/W2783666262","https://openalex.org/W2809890174","https://openalex.org/W2815462179","https://openalex.org/W2887447356","https://openalex.org/W2888840714","https://openalex.org/W2905012389","https://openalex.org/W2914635984","https://openalex.org/W2939052792","https://openalex.org/W2948831670","https://openalex.org/W2969996838","https://openalex.org/W2974325953","https://openalex.org/W2978484973","https://openalex.org/W2991736596","https://openalex.org/W3008588639","https://openalex.org/W3011286504","https://openalex.org/W3045393475","https://openalex.org/W3047084383","https://openalex.org/W3080638803","https://openalex.org/W3093053585","https://openalex.org/W3094233170","https://openalex.org/W3116865743","https://openalex.org/W3118960334","https://openalex.org/W3138705992","https://openalex.org/W3154108572","https://openalex.org/W3157554109","https://openalex.org/W3162583919","https://openalex.org/W3164107346","https://openalex.org/W3165171933","https://openalex.org/W3187898493","https://openalex.org/W3195161349","https://openalex.org/W3200806939","https://openalex.org/W3201230437","https://openalex.org/W3207637421","https://openalex.org/W3217546525","https://openalex.org/W4206554588","https://openalex.org/W4220681836","https://openalex.org/W4220798957","https://openalex.org/W4221062742","https://openalex.org/W4248107770","https://openalex.org/W4283075725","https://openalex.org/W4285386073","https://openalex.org/W4285387016","https://openalex.org/W4307447012","https://openalex.org/W4309287202","https://openalex.org/W4309413039","https://openalex.org/W4309452766","https://openalex.org/W4317470261","https://openalex.org/W4319332853","https://openalex.org/W4321769975","https://openalex.org/W4321791966","https://openalex.org/W4322761566","https://openalex.org/W4362522288","https://openalex.org/W4377094475","https://openalex.org/W4386498912","https://openalex.org/W4388230759","https://openalex.org/W4389195947"],"related_works":["https://openalex.org/W2380075625","https://openalex.org/W2099982459","https://openalex.org/W2109298101","https://openalex.org/W2007507741","https://openalex.org/W2159860826","https://openalex.org/W3192210502","https://openalex.org/W1981737222","https://openalex.org/W1569394480","https://openalex.org/W4390876228","https://openalex.org/W1998222399"],"abstract_inverted_index":{"Protein-protein":[0],"interactions":[1],"(PPIs)":[2],"play":[3],"a":[4,41,59,67,84,146,185,228],"crucial":[5],"role":[6],"in":[7,217,257],"numerous":[8],"biochemical":[9],"and":[10,24,37,75,108,112,219,253],"biological":[11],"processes.":[12],"Although":[13],"several":[14],"structure-based":[15,147,174,275],"molecular":[16,86,148,166,176,190,259],"generative":[17,87,149,167,177,191],"models":[18],"have":[19],"been":[20],"developed,":[21],"PPI":[22,52,71,91,106,131,153,161,164,243,251,278],"interfaces":[23,72,107,252],"compounds":[25,44,116,128,264],"targeting":[26,242],"PPIs":[27],"exhibit":[28],"distinct":[29],"physicochemical":[30],"properties":[31],"compared":[32],"to":[33,90,200,238,266],"traditional":[34],"binding":[35],"pockets":[36],"small-molecule":[38],"drugs.":[39],"As":[40],"result,":[42],"generating":[43],"that":[45,98,117],"effectively":[46,246],"target":[47,118],"PPIs,":[48],"particularly":[49],"by":[50],"considering":[51],"complexes":[53],"or":[54],"interface":[55,132],"hotspot":[56],"residues,":[57],"remains":[58],"significant":[60],"challenge.":[61],"In":[62],"this":[63,140],"work,":[64],"we":[65,82],"constructed":[66],"comprehensive":[68],"dataset":[69],"of":[70,137,145,160,173,277],"with":[73,129],"active":[74,110],"inactive":[76],"compound":[77,215,240],"pairs.":[78],"Based":[79],"on":[80,152],"this,":[81],"propose":[83],"novel":[85,115,127],"framework":[88,194],"tailored":[89],"interfaces,":[92,154],"named":[93],"GENiPPI.":[94],"Our":[95],"evaluation":[96],"demonstrates":[97],"GENiPPI":[99,122,245,261,269],"captures":[100,247],"the":[101,105,109,135,142,158,170,206,236,248],"implicit":[102],"relationships":[103],"between":[104,250],"molecules,":[111],"can":[113,123],"generate":[114,124,239],"these":[119],"interfaces.":[120,244],"Moreover,":[121],"structurally":[125],"diverse":[126],"limited":[130],"modulators.":[133,162,279],"To":[134],"best":[136],"our":[138],"knowledge,":[139],"is":[141],"first":[143,195],"exploration":[144],"model":[150,168,237],"focused":[151],"which":[155,234],"could":[156],"facilitate":[157],"design":[159,276],"The":[163,193],"interface-based":[165],"enriches":[169],"existing":[171],"landscape":[172],"(pocket/interface)":[175],"model.":[178],"SCIENTIFIC":[179],"CONTRIBUTION:":[180],"This":[181],"study":[182],"introduces":[183],"GENiPPI,":[184],"protein-protein":[186],"interaction":[187,203],"(PPI)":[188],"interface-aware":[189],"framework.":[192],"employs":[196],"Graph":[197],"Attention":[198],"Networks":[199,213],"capture":[201],"atomic-level":[202],"features":[204,224],"at":[205],"protein":[207],"complex":[208],"interface.":[209],"Subsequently,":[210],"Convolutional":[211],"Neural":[212],"extract":[214],"representations":[216,241],"voxel":[218],"electron":[220],"density":[221],"spaces.":[222],"These":[223],"are":[225],"integrated":[226],"into":[227],"Conditional":[229],"Wasserstein":[230],"Generative":[231],"Adversarial":[232],"Network,":[233],"trains":[235],"relationship":[249],"active/inactive":[254],"compounds.":[255],"Furthermore,":[256],"fewshot":[258],"generation,":[260],"successfully":[262],"generates":[263],"comparable":[265],"known":[267],"disruptors.":[268],"provides":[270],"an":[271],"efficient":[272],"tool":[273],"for":[274]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":7}],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2025-10-10T00:00:00"}