{"id":"https://openalex.org/W4404628877","doi":"https://doi.org/10.1109/jbhi.2024.3504851","title":"TransScore: A Graph Model for Pose Scoring and Affinity Prediction Based on Transformer Convolution Network","display_name":"TransScore: A Graph Model for Pose Scoring and Affinity Prediction Based on Transformer Convolution Network","publication_year":2024,"publication_date":"2024-11-22","ids":{"openalex":"https://openalex.org/W4404628877","doi":"https://doi.org/10.1109/jbhi.2024.3504851","pmid":"https://pubmed.ncbi.nlm.nih.gov/40030271"},"language":"en","primary_location":{"id":"doi:10.1109/jbhi.2024.3504851","is_oa":false,"landing_page_url":"https://doi.org/10.1109/jbhi.2024.3504851","pdf_url":null,"source":{"id":"https://openalex.org/S2495854775","display_name":"IEEE Journal of Biomedical and Health Informatics","issn_l":"2168-2194","issn":["2168-2194","2168-2208"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Journal of Biomedical and Health Informatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5089984487","display_name":"Chuqi Lei","orcid":"https://orcid.org/0009-0007-5234-9924"},"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":"Chuqi Lei","raw_affiliation_strings":["Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, China","Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, Hunan, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, Hunan, China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101589261","display_name":"Wenkang Wang","orcid":"https://orcid.org/0009-0001-9930-5853"},"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":"Wenkang Wang","raw_affiliation_strings":["Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, China","Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, Hunan, China"],"raw_orcid":"https://orcid.org/0009-0001-9930-5853","affiliations":[{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, Hunan, China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100380499","display_name":"Wei Fan","orcid":"https://orcid.org/0000-0002-0342-6272"},"institutions":[{"id":"https://openalex.org/I40120149","display_name":"University of Oxford","ror":"https://ror.org/052gg0110","country_code":"GB","type":"education","lineage":["https://openalex.org/I40120149"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Wei Fan","raw_affiliation_strings":["Nuffield Department of Women&#x0027;s and Reproductive Health, University of Oxford, Oxford, U.K"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Nuffield Department of Women&#x0027;s and Reproductive Health, University of Oxford, Oxford, U.K","institution_ids":["https://openalex.org/I40120149"]}]},{"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":["Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, China","Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, Hunan, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, Hunan, China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Jing Tang","orcid":"https://orcid.org/0000-0001-7480-7710"},"institutions":[{"id":"https://openalex.org/I133731052","display_name":"University of Helsinki","ror":"https://ror.org/040af2s02","country_code":"FI","type":"education","lineage":["https://openalex.org/I133731052"]}],"countries":["FI"],"is_corresponding":false,"raw_author_name":"Jing Tang","raw_affiliation_strings":["Research Program in Systems Oncology, Faculty of Medicine, University of Helsinki, Helsinki, Finland","Research Program in Systems Oncology, Faculty of Medicine, University of Helsinki, Finland"],"raw_orcid":"https://orcid.org/0000-0001-7480-7710","affiliations":[{"raw_affiliation_string":"Research Program in Systems Oncology, Faculty of Medicine, University of Helsinki, Helsinki, Finland","institution_ids":["https://openalex.org/I133731052"]},{"raw_affiliation_string":"Research Program in Systems Oncology, Faculty of Medicine, University of Helsinki, Finland","institution_ids":["https://openalex.org/I133731052"]}]},{"author_position":"last","author":{"id":null,"display_name":"Min Li","orcid":"https://orcid.org/0000-0002-0188-1394"},"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":["Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, China","Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, Hunan, China"],"raw_orcid":"https://orcid.org/0000-0002-0188-1394","affiliations":[{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Hunan Provincial Key Lab on Bioinformatics, School of Computer Science and Engineering, Central South University, Changsha, Hunan, China","institution_ids":["https://openalex.org/I139660479"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.2044,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.5076989,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"29","issue":"11","first_page":"7830","last_page":"7838"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10812","display_name":"Human Pose and Action Recognition","score":0.9684000015258789,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"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/T10812","display_name":"Human Pose and Action Recognition","score":0.9684000015258789,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"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/T12292","display_name":"Graph Theory and Algorithms","score":0.9412000179290771,"subfield":{"id":"https://openalex.org/subfields/1707","display_name":"Computer Vision and Pattern Recognition"},"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/T10653","display_name":"Robot Manipulation and Learning","score":0.9018999934196472,"subfield":{"id":"https://openalex.org/subfields/2207","display_name":"Control and Systems Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6491857767105103},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.539344310760498},{"id":"https://openalex.org/keywords/convolution","display_name":"Convolution (computer science)","score":0.5341624021530151},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.47302699089050293},{"id":"https://openalex.org/keywords/transformer","display_name":"Transformer","score":0.45627114176750183},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.38843631744384766},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.22940000891685486},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.12155023217201233},{"id":"https://openalex.org/keywords/voltage","display_name":"Voltage","score":0.09325960278511047},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.08889561891555786}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6491857767105103},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.539344310760498},{"id":"https://openalex.org/C45347329","wikidata":"https://www.wikidata.org/wiki/Q5166604","display_name":"Convolution (computer science)","level":3,"score":0.5341624021530151},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.47302699089050293},{"id":"https://openalex.org/C66322947","wikidata":"https://www.wikidata.org/wiki/Q11658","display_name":"Transformer","level":3,"score":0.45627114176750183},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.38843631744384766},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.22940000891685486},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.12155023217201233},{"id":"https://openalex.org/C165801399","wikidata":"https://www.wikidata.org/wiki/Q25428","display_name":"Voltage","level":2,"score":0.09325960278511047},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.08889561891555786},{"id":"https://openalex.org/C119599485","wikidata":"https://www.wikidata.org/wiki/Q43035","display_name":"Electrical engineering","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","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":"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":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1109/jbhi.2024.3504851","is_oa":false,"landing_page_url":"https://doi.org/10.1109/jbhi.2024.3504851","pdf_url":null,"source":{"id":"https://openalex.org/S2495854775","display_name":"IEEE Journal of Biomedical and Health Informatics","issn_l":"2168-2194","issn":["2168-2194","2168-2208"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319808","host_organization_name":"Institute of Electrical and Electronics Engineers","host_organization_lineage":["https://openalex.org/P4310319808"],"host_organization_lineage_names":["Institute of Electrical and Electronics Engineers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"IEEE Journal of Biomedical and Health Informatics","raw_type":"journal-article"},{"id":"pmid:40030271","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40030271","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":"IEEE journal of biomedical and health informatics","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1773164894","display_name":null,"funder_award_id":"356364","funder_id":"https://openalex.org/F4320321108","funder_display_name":"Academy of Finland"},{"id":"https://openalex.org/G4043378463","display_name":null,"funder_award_id":"61832019","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8618696481","display_name":null,"funder_award_id":"346019","funder_id":"https://openalex.org/F4320321108","funder_display_name":"Academy of Finland"},{"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/F4320321108","display_name":"Academy of Finland","ror":"https://ror.org/05k73zm37"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":35,"referenced_works":["https://openalex.org/W1972547175","https://openalex.org/W1974324284","https://openalex.org/W1975875968","https://openalex.org/W1978809115","https://openalex.org/W1988037271","https://openalex.org/W1993285168","https://openalex.org/W1998031351","https://openalex.org/W1998568556","https://openalex.org/W2003356525","https://openalex.org/W2005647584","https://openalex.org/W2012084558","https://openalex.org/W2025816743","https://openalex.org/W2072458613","https://openalex.org/W2092285329","https://openalex.org/W2096541451","https://openalex.org/W2128332459","https://openalex.org/W2134967712","https://openalex.org/W2148512505","https://openalex.org/W2170747616","https://openalex.org/W2176516200","https://openalex.org/W2194775991","https://openalex.org/W2334483166","https://openalex.org/W2471286324","https://openalex.org/W2549694484","https://openalex.org/W2777416523","https://openalex.org/W2781821160","https://openalex.org/W2893435209","https://openalex.org/W2895884529","https://openalex.org/W2969996838","https://openalex.org/W3109916301","https://openalex.org/W3187966659","https://openalex.org/W4205171481","https://openalex.org/W4226118454","https://openalex.org/W4381486253","https://openalex.org/W4388488229"],"related_works":["https://openalex.org/W4387838477","https://openalex.org/W2067193074","https://openalex.org/W2182785089","https://openalex.org/W4312178642","https://openalex.org/W2375093801","https://openalex.org/W3107426390","https://openalex.org/W1534368937","https://openalex.org/W4312624109","https://openalex.org/W2033914206","https://openalex.org/W2042327336"],"abstract_inverted_index":{"Predicting":[0],"the":[1,29,33,41,62,84,97,112,124,132,146,160,166,173,184,232,236,240],"interaction":[2,27,233],"of":[3,28,37,48,81,86,127,162,235,243],"protein":[4],"and":[5,20,119,142,207,212],"compound":[6],"is":[7,76,152,199],"an":[8,219],"important":[9],"task":[10,71],"in":[11,91,139,155,170,183,193,204,245],"drug":[12,246],"discovery.":[13,247],"Molecular":[14],"docking":[15],"has":[16,51],"been":[17,52],"a":[18,45,68,104],"fundamental":[19,46],"vital":[21],"computer-aid":[22],"tool":[23],"for":[24,116,145],"digging":[25],"potential":[26,241],"protein-compound":[30,128],"pair.":[31],"With":[32],"recent":[34],"great":[35],"success":[36],"artificial":[38],"intelligence":[39],"(AI),":[40],"scoring":[42,118],"function,":[43],"as":[44],"part":[47],"molecular":[49],"docking,":[50],"achieving":[53],"much":[54],"better":[55],"performance":[56,85,151],"by":[57,78,130],"incorporating":[58],"AI-based":[59,63,87],"models.":[60],"However,":[61],"models":[64,88],"usually":[65,89],"focus":[66],"on":[67,111,221],"single":[69],"prediction":[70,186],"(e.g.,":[72],"affinity":[73,120,185],"prediction),":[74],"which":[75,135,158,225],"limited":[77],"their":[79,213],"lack":[80],"extensibility.":[82],"Moreover,":[83,197],"declines":[90],"cold":[92,141],"start":[93,195],"scenarios,":[94],"thus":[95],"compromising":[96],"robustness.":[98],"To":[99],"this":[100],"end,":[101],"we":[102,188],"propose":[103],"novel":[105],"deep":[106],"learning-based":[107],"graph":[108],"model":[109,174],"based":[110],"transformer":[113],"convolution":[114],"network":[115],"pose":[117],"prediction.":[121],"TransScore":[122,171,202,229,244],"captures":[123],"intrinsic":[125],"characteristics":[126],"poses":[129],"employing":[131],"self-attention":[133],"mechanism,":[134],"achieves":[136],"superior":[137],"performances":[138],"both":[140,205],"warm":[143],"scenarios":[144],"pose-scoring":[147],"task.":[148],"The":[149],"outstanding":[150],"also":[153,217],"shown":[154],"imbalanced":[156],"datasets,":[157],"demonstrates":[159],"robustness":[161],"TransScore.":[163],"In":[164,181],"addition,":[165],"gated":[167],"residual":[168],"algorithm":[169],"enhances":[172],"to":[175,177],"adapt":[176],"diverse":[178],"related":[179],"tasks.":[180],"particular,":[182],"task,":[187],"have":[189],"observed":[190],"consistent":[191],"improvements":[192],"warm/cold":[194],"scenarios.":[196],"it":[198],"noticeable":[200],"that":[201,228],"excels":[203],"accuracy":[206],"precision,":[208],"accurately":[209],"predicting":[210],"affinities":[211],"relative":[214],"ordering.":[215],"We":[216],"conducted":[218],"analysis":[220],"carbonic":[222],"anhydrase":[223],"II,":[224],"bears":[226],"out":[227],"can":[230],"elaborate":[231],"mechanism":[234],"protein-ligand":[237],"pair,":[238],"suggesting":[239],"application":[242]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2025-12-19T19:40:27.379048","created_date":"2025-10-10T00:00:00"}
