{"id":"https://openalex.org/W4310464551","doi":"https://doi.org/10.1021/acs.jcim.2c00908","title":"KID: A Kinase-Focused Interaction Database and Its Application in the Construction of Kinase-Focused Molecule Databases","display_name":"KID: A Kinase-Focused Interaction Database and Its Application in the Construction of Kinase-Focused Molecule Databases","publication_year":2022,"publication_date":"2022-11-30","ids":{"openalex":"https://openalex.org/W4310464551","doi":"https://doi.org/10.1021/acs.jcim.2c00908","pmid":"https://pubmed.ncbi.nlm.nih.gov/36447388"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.2c00908","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00908","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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5022029651","display_name":"Xiaowen Dai","orcid":null},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaowen Dai","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":"https://orcid.org/0000-0003-4291-0857","affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113786820","display_name":"Yuan Xu","orcid":null},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuan Xu","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056368381","display_name":"Haodi Qiu","orcid":null},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haodi Qiu","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103084487","display_name":"Qian Xu","orcid":"https://orcid.org/0000-0002-6955-4023"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xu Qian","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039776680","display_name":"MingDe Lin","orcid":"https://orcid.org/0000-0001-7641-2595"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mingde Lin","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056636743","display_name":"Lin Luo","orcid":null},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lin Luo","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5115602222","display_name":"Yang Zhao","orcid":"https://orcid.org/0000-0002-3883-4997"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yang Zhao","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076464006","display_name":"Dingfang Huang","orcid":null},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Dingfang Huang","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100623321","display_name":"Yanmin Zhang","orcid":"https://orcid.org/0000-0002-4075-7556"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yanmin Zhang","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":"https://orcid.org/0000-0002-4075-7556","affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019756461","display_name":"Yadong Chen","orcid":"https://orcid.org/0000-0002-2189-9356"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yadong Chen","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":"https://orcid.org/0000-0002-2189-9356","affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060654525","display_name":"Haichun Liu","orcid":"https://orcid.org/0000-0003-0164-3502"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Haichun Liu","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5042975544","display_name":"Yulei Jiang","orcid":"https://orcid.org/0000-0001-9322-0958"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yulei Jiang","raw_affiliation_strings":["Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Design and Drug Discovery, School of Science, China Pharmaceutical University, 639 Longmian Avenue, Nanjing 211198, China","institution_ids":["https://openalex.org/I161716053"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":12,"corresponding_author_ids":["https://openalex.org/A5019756461","https://openalex.org/A5042975544","https://openalex.org/A5060654525"],"corresponding_institution_ids":["https://openalex.org/I161716053"],"apc_list":null,"apc_paid":null,"fwci":0.6034,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":{"value":0.71541286,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"62","issue":"23","first_page":"6022","last_page":"6034"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9991999864578247,"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":0.9991999864578247,"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":0.9926000237464905,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9887999892234802,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.5739349126815796},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4318392276763916},{"id":"https://openalex.org/keywords/kinase","display_name":"Kinase","score":0.4241708815097809},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.3257915675640106},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.29971152544021606},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.13309887051582336}],"concepts":[{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.5739349126815796},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4318392276763916},{"id":"https://openalex.org/C184235292","wikidata":"https://www.wikidata.org/wiki/Q421851","display_name":"Kinase","level":2,"score":0.4241708815097809},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.3257915675640106},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.29971152544021606},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.13309887051582336}],"mesh":[{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000596","descriptor_name":"Amino Acids","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011494","descriptor_name":"Protein Kinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011494","descriptor_name":"Protein Kinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011494","descriptor_name":"Protein Kinases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016208","descriptor_name":"Databases, Factual","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062126","descriptor_name":"Databases, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.2c00908","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00908","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:36447388","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36447388","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}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G3461280962","display_name":null,"funder_award_id":"81803370","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6038253606","display_name":null,"funder_award_id":"BK20180559","funder_id":"https://openalex.org/F4320322769","funder_display_name":"Natural Science Foundation of Jiangsu Province"},{"id":"https://openalex.org/G646850217","display_name":null,"funder_award_id":"82073704","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7218254967","display_name":null,"funder_award_id":"81973182","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/F4320321542","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718"},{"id":"https://openalex.org/F4320322769","display_name":"Natural Science Foundation of Jiangsu Province","ror":"https://ror.org/01h0zpd94"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":32,"referenced_works":["https://openalex.org/W134574290","https://openalex.org/W1969389753","https://openalex.org/W1975436091","https://openalex.org/W1978229532","https://openalex.org/W1991286793","https://openalex.org/W2005518172","https://openalex.org/W2022476850","https://openalex.org/W2028326521","https://openalex.org/W2059005989","https://openalex.org/W2060531713","https://openalex.org/W2073012263","https://openalex.org/W2117998993","https://openalex.org/W2130479394","https://openalex.org/W2134375419","https://openalex.org/W2138778824","https://openalex.org/W2150253634","https://openalex.org/W2179066627","https://openalex.org/W2274696102","https://openalex.org/W2404215674","https://openalex.org/W2558999090","https://openalex.org/W2562677145","https://openalex.org/W2745142516","https://openalex.org/W2767891136","https://openalex.org/W2797137144","https://openalex.org/W2889555425","https://openalex.org/W2977600124","https://openalex.org/W2982688814","https://openalex.org/W2997799968","https://openalex.org/W3030948478","https://openalex.org/W3093634533","https://openalex.org/W3189949217","https://openalex.org/W4290879873"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2478288626","https://openalex.org/W2350741829","https://openalex.org/W2530322880","https://openalex.org/W1596801655"],"abstract_inverted_index":{"Protein":[0],"kinases":[1,15,61,75],"are":[2,218],"important":[3,57,142],"drug":[4],"targets":[5],"for":[6,46,237],"the":[7,21,56,70,77,147,172,222,238],"treatment":[8],"of":[9,23,60,74,101,114,117,144,149,225,240],"several":[10],"diseases.":[11],"The":[12],"interaction":[13,79,130],"between":[14],"and":[16,39,81,103,106,175,199,217],"ligands":[17],"is":[18],"vital":[19],"in":[20,146,208,213],"process":[22],"small-molecule":[24],"kinase":[25,226],"inhibitor":[26],"(SMKI)":[27],"design.":[28],"In":[29,49,133],"this":[30],"study,":[31],"we":[32,84,153],"propose":[33],"a":[34,89,107,128,231],"method":[35],"to":[36,140,234],"extract":[37],"fragments":[38,52,102,145],"amino":[40],"acid":[41,92],"residues":[42],"from":[43,76],"crystal":[44],"structures":[45],"kinase-ligand":[47,78],"interactions.":[48],"addition,":[50],"core":[51],"that":[53,97],"interact":[54],"with":[55,65,120,194],"hinge":[58,109],"region":[59],"were":[62],"extracted":[63],"along":[64],"their":[66,121],"decorations.":[67,123],"Based":[68],"on":[69,138,171,185,221],"superimposed":[71],"structural":[72],"data":[73],"fingerprint":[80,215],"structure":[82],"database,":[83],"obtained":[85],"two":[86,125,155,202],"libraries,":[87],"namely,":[88],"hinge-unfocused":[90],"fragment-amino":[91],"pair":[93],"library":[94,111],"(FAP":[95],"Lib)":[96,113],"contains":[98,163,180],"6672":[99],"pairs":[100,116],"corresponding":[104,122],"amino-acids,":[105],"hinge-focused":[108],"binder":[110],"(HB":[112],"3560":[115],"hinge-binding":[118],"scaffolds":[119],"These":[124],"libraries":[126],"constitute":[127],"kinase-focused":[129,156],"database":[131],"(KID).":[132],"depth":[134],"analysis":[135],"was":[136],"conducted":[137],"KID":[139,229],"explore":[141],"characteristics":[143],"design":[148],"SMKIs.":[150,242],"With":[151],"KID,":[152],"built":[154],"molecule":[157,214],"databases,":[158],"one":[159],"called":[160,177],"Recomb_DB,":[161],"which":[162,179],"1,72,346":[164],"molecules":[165,182],"generated":[166,183],"through":[167],"fragment":[168],"recombination":[169],"based":[170,184],"FAP":[173],"Lib,":[174],"another":[176],"RsdHB_DB,":[178],"93,030":[181],"our":[186],"HB":[187],"Lib":[188],"using":[189],"molecular":[190],"generation":[191],"methods.":[192],"Compared":[193],"five":[195],"databases":[196,203,236],"both":[197,204],"commercial":[198],"non-commercial,":[200],"these":[201],"ranked":[205],"top":[206,211],"3":[207],"scaffold":[209],"diversity,":[210,216],"4":[212],"more":[219],"focused":[220],"chemical":[223],"space":[224],"inhibitors.":[227],"Hence,":[228],"presents":[230],"useful":[232],"addition":[233],"existing":[235],"exploration":[239],"novel":[241]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
