{"id":"https://openalex.org/W3117081956","doi":"https://doi.org/10.1021/acs.jcim.0c00866","title":"Explainable Deep Relational Networks for Predicting Compound\u2013Protein Affinities and Contacts","display_name":"Explainable Deep Relational Networks for Predicting Compound\u2013Protein Affinities and Contacts","publication_year":2020,"publication_date":"2020-12-21","ids":{"openalex":"https://openalex.org/W3117081956","doi":"https://doi.org/10.1021/acs.jcim.0c00866","mag":"3117081956","pmid":"https://pubmed.ncbi.nlm.nih.gov/33347301"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c00866","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00866","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7987499","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5069807825","display_name":"Mostafa Karimi","orcid":"https://orcid.org/0000-0002-1459-6832"},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]},{"id":"https://openalex.org/I173268674","display_name":"Texas A&M University System","ror":"https://ror.org/0034eay46","country_code":"US","type":"education","lineage":["https://openalex.org/I173268674"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mostafa Karimi","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas 77843, United States","TEES-AgriLife Center for Bioinformatics and Genomic Systems Engineering, Texas A&M University, College Station, Texas 77840, United States"],"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas 77843, United States","institution_ids":["https://openalex.org/I91045830"]},{"raw_affiliation_string":"TEES-AgriLife Center for Bioinformatics and Genomic Systems Engineering, Texas A&M University, College Station, Texas 77840, United States","institution_ids":["https://openalex.org/I173268674"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087166824","display_name":"Di Wu","orcid":"https://orcid.org/0000-0002-6818-1886"},"institutions":[{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Di Wu","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas 77843, United States"],"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas 77843, United States","institution_ids":["https://openalex.org/I91045830"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048522863","display_name":"Zhangyang Wang","orcid":"https://orcid.org/0000-0002-2050-5693"},"institutions":[{"id":"https://openalex.org/I86519309","display_name":"The University of Texas at Austin","ror":"https://ror.org/00hj54h04","country_code":"US","type":"education","lineage":["https://openalex.org/I86519309"]},{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zhangyang Wang","raw_affiliation_strings":["Department of Computer Science and Engineering, Texas A&M University, College Station, Texas 77843, United States","Department of Electrical and Computer Engineering, The University of Texas at Austin, Austin, Texas 78712, United States"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Engineering, Texas A&M University, College Station, Texas 77843, United States","institution_ids":["https://openalex.org/I91045830"]},{"raw_affiliation_string":"Department of Electrical and Computer Engineering, The University of Texas at Austin, Austin, Texas 78712, United States","institution_ids":["https://openalex.org/I86519309"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100716873","display_name":"Yang Shen","orcid":"https://orcid.org/0000-0002-1703-7796"},"institutions":[{"id":"https://openalex.org/I173268674","display_name":"Texas A&M University System","ror":"https://ror.org/0034eay46","country_code":"US","type":"education","lineage":["https://openalex.org/I173268674"]},{"id":"https://openalex.org/I91045830","display_name":"Texas A&M University","ror":"https://ror.org/01f5ytq51","country_code":"US","type":"education","lineage":["https://openalex.org/I91045830"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Yang Shen","raw_affiliation_strings":["Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas 77843, United States","TEES-AgriLife Center for Bioinformatics and Genomic Systems Engineering, Texas A&M University, College Station, Texas 77840, United States"],"affiliations":[{"raw_affiliation_string":"Department of Electrical and Computer Engineering, Texas A&M University, College Station, Texas 77843, United States","institution_ids":["https://openalex.org/I91045830"]},{"raw_affiliation_string":"TEES-AgriLife Center for Bioinformatics and Genomic Systems Engineering, Texas A&M University, College Station, Texas 77840, United States","institution_ids":["https://openalex.org/I173268674"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5100716873"],"corresponding_institution_ids":["https://openalex.org/I173268674","https://openalex.org/I91045830"],"apc_list":null,"apc_paid":null,"fwci":5.1957,"has_fulltext":false,"cited_by_count":58,"citation_normalized_percentile":{"value":0.96405065,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":100},"biblio":{"volume":"61","issue":"1","first_page":"46","last_page":"66"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9958999752998352,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9955000281333923,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/interpretability","display_name":"Interpretability","score":0.93914794921875},{"id":"https://openalex.org/keywords/affinities","display_name":"Affinities","score":0.6680849194526672},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.6489992141723633},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.620522141456604},{"id":"https://openalex.org/keywords/binding-affinities","display_name":"Binding affinities","score":0.5554276704788208},{"id":"https://openalex.org/keywords/generalizability-theory","display_name":"Generalizability theory","score":0.5450986623764038},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5293722152709961},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.4765610992908478},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.24573227763175964},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.16268378496170044},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.16186118125915527}],"concepts":[{"id":"https://openalex.org/C2781067378","wikidata":"https://www.wikidata.org/wiki/Q17027399","display_name":"Interpretability","level":2,"score":0.93914794921875},{"id":"https://openalex.org/C2780283098","wikidata":"https://www.wikidata.org/wiki/Q4688960","display_name":"Affinities","level":2,"score":0.6680849194526672},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6489992141723633},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.620522141456604},{"id":"https://openalex.org/C3018795828","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Binding affinities","level":3,"score":0.5554276704788208},{"id":"https://openalex.org/C27158222","wikidata":"https://www.wikidata.org/wiki/Q5532422","display_name":"Generalizability theory","level":2,"score":0.5450986623764038},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5293722152709961},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.4765610992908478},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.24573227763175964},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.16268378496170044},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.16186118125915527},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"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":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":null,"qualifier_name":null,"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}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.0c00866","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00866","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:33347301","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33347301","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 chemical information and modeling","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:7987499","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7987499","pdf_url":null,"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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:7987499","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/7987499","pdf_url":null,"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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1579494549","display_name":null,"funder_award_id":"R35GM124952","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G2060530759","display_name":null,"funder_award_id":"CCF-1943008","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":67,"referenced_works":["https://openalex.org/W1480438572","https://openalex.org/W1491063910","https://openalex.org/W1514535095","https://openalex.org/W1545231783","https://openalex.org/W1567411871","https://openalex.org/W1606947757","https://openalex.org/W1847618513","https://openalex.org/W1972987731","https://openalex.org/W1981076832","https://openalex.org/W2017254234","https://openalex.org/W2035585923","https://openalex.org/W2049631297","https://openalex.org/W2086286404","https://openalex.org/W2090157995","https://openalex.org/W2096495474","https://openalex.org/W2096864392","https://openalex.org/W2101738855","https://openalex.org/W2104270610","https://openalex.org/W2105175831","https://openalex.org/W2112917490","https://openalex.org/W2114162221","https://openalex.org/W2115256962","https://openalex.org/W2117620409","https://openalex.org/W2130479394","https://openalex.org/W2131474431","https://openalex.org/W2133564696","https://openalex.org/W2134967712","https://openalex.org/W2214665483","https://openalex.org/W2404137591","https://openalex.org/W2463565445","https://openalex.org/W2479423890","https://openalex.org/W2527541313","https://openalex.org/W2558217333","https://openalex.org/W2594475271","https://openalex.org/W2604306554","https://openalex.org/W2605952223","https://openalex.org/W2624614404","https://openalex.org/W2751476102","https://openalex.org/W2784213390","https://openalex.org/W2785947426","https://openalex.org/W2786505886","https://openalex.org/W2807792492","https://openalex.org/W2809216727","https://openalex.org/W2883204049","https://openalex.org/W2899070097","https://openalex.org/W2899788782","https://openalex.org/W2910318997","https://openalex.org/W2911871527","https://openalex.org/W2913099012","https://openalex.org/W2946617578","https://openalex.org/W2949867299","https://openalex.org/W2952915411","https://openalex.org/W2953265656","https://openalex.org/W2954297401","https://openalex.org/W2955998834","https://openalex.org/W2962884579","https://openalex.org/W2963102887","https://openalex.org/W2963271116","https://openalex.org/W2963461379","https://openalex.org/W2969996838","https://openalex.org/W2975086539","https://openalex.org/W2978484973","https://openalex.org/W2989848927","https://openalex.org/W3027554922","https://openalex.org/W3101319109","https://openalex.org/W3103992997","https://openalex.org/W4235413268"],"related_works":["https://openalex.org/W4378220270","https://openalex.org/W3187200704","https://openalex.org/W2903287478","https://openalex.org/W2031259671","https://openalex.org/W3112966125","https://openalex.org/W1990832091","https://openalex.org/W4240532245","https://openalex.org/W1961356786","https://openalex.org/W4392059316","https://openalex.org/W2073233024"],"abstract_inverted_index":{"Predicting":[0],"compound-protein":[1,264],"affinity":[2,24,155,175,201,265],"is":[3,16],"beneficial":[4],"for":[5,39,49,75,177,217,262],"accelerating":[6],"drug":[7],"discovery.":[8],"Doing":[9],"so":[10],"without":[11,244],"the":[12,73,80,205,218,249],"often-unavailable":[13],"structure":[14],"data":[15],"gaining":[17],"interest.":[18],"However,":[19],"recent":[20],"progress":[21],"in":[22,138,165,174,233],"structure-free":[23,236,263],"prediction,":[25,202,239],"made":[26],"by":[27,82,210],"machine":[28,260],"learning,":[29],"focuses":[30],"on":[31],"accuracy":[32],"but":[33],"leaves":[34],"much":[35],"to":[36,113,153,184,193,258],"be":[37],"desired":[38],"interpretability.":[40],"Defining":[41],"intermolecular":[42,136],"contacts":[43,71,137,149],"underlying":[44],"affinities":[45],"as":[46],"a":[47,64],"vehicle":[48],"interpretability;":[50],"our":[51],"large-scale":[52],"interpretability":[53,191],"assessment":[54,256],"finds":[55],"previously":[56],"used":[57],"attention":[58],"mechanisms":[59],"inadequate.":[60],"We":[61,78,107,227],"thus":[62],"formulate":[63],"hierarchical":[65,87],"multiobjective":[66],"learning":[67,261],"problem,":[68],"where":[69,147],"predicted":[70,76],"form":[72],"basis":[74],"affinities.":[77],"solve":[79],"problem":[81],"embedding":[83],"protein":[84,102,122],"sequences":[85],"(by":[86,94],"recurrent":[88],"neural":[89,96],"networks)":[90,97],"and":[91,104,126,141,160,167,182,215,223,240,253],"compound":[92,105],"graphs":[93],"graph":[95],"with":[98,197],"joint":[99],"attentions":[100,120,133],"between":[101],"residues":[103],"atoms.":[106],"further":[108,228],"introduce":[109],"three":[110,162],"methodological":[111],"advances":[112,163],"enhance":[114],"interpretability:":[115],"(1)":[116],"structure-aware":[117],"regularization":[118],"of":[119,132,207],"using":[121,134],"sequence-predicted":[123],"solvent":[124],"exposure":[125],"residue-residue":[127],"contact":[128,208],"maps;":[129],"(2)":[130],"supervision":[131],"known":[135],"training":[139,185],"data;":[140],"(3)":[142],"an":[143],"intrinsically":[144],"explainable":[145],"architecture":[146],"atomic-level":[148],"or":[150,199],"\"relations\"":[151],"lead":[152],"molecular-level":[154],"prediction.":[156,266],"The":[157],"first":[158,250],"two":[159],"all":[161],"result":[164],"DeepAffinity+":[166],"DeepRelations,":[168],"respectively.":[169,226],"Our":[170,246],"methods":[171],"show":[172,189],"generalizability":[173],"prediction":[176,209],"molecules":[178],"that":[179],"are":[180],"new":[181],"dissimilar":[183],"examples.":[186],"Moreover,":[187],"they":[188,203],"superior":[190],"compared":[192],"state-of-the-art":[194],"interpretable":[195,259],"methods:":[196],"similar":[198],"better":[200],"boost":[204],"AUPRC":[206],"around":[211],"33-,":[212],"35-,":[213],"10-,":[214],"9-fold":[216],"default":[219],"test,":[220],"new-compound,":[221],"new-protein,":[222],"both-new":[224],"sets,":[225],"demonstrate":[229],"their":[230],"potential":[231],"utilities":[232],"contact-assisted":[234],"docking,":[235],"binding":[237],"site":[238],"structure-activity":[241],"relationship":[242],"studies":[243],"docking.":[245],"study":[247],"represents":[248],"model":[251,255],"development":[252],"systematic":[254],"dedicated":[257]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":10},{"year":2023,"cited_by_count":13},{"year":2022,"cited_by_count":11},{"year":2021,"cited_by_count":8},{"year":2020,"cited_by_count":4}],"updated_date":"2026-03-10T16:38:18.471706","created_date":"2025-10-10T00:00:00"}
