{"id":"https://openalex.org/W3025903676","doi":"https://doi.org/10.1021/acs.jcim.0c00104","title":"GalaxySagittarius: Structure- and Similarity-Based Prediction of Protein Targets for Druglike Compounds","display_name":"GalaxySagittarius: Structure- and Similarity-Based Prediction of Protein Targets for Druglike Compounds","publication_year":2020,"publication_date":"2020-05-13","ids":{"openalex":"https://openalex.org/W3025903676","doi":"https://doi.org/10.1021/acs.jcim.0c00104","mag":"3025903676","pmid":"https://pubmed.ncbi.nlm.nih.gov/32401021"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c00104","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00104","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/A5042162830","display_name":"Jinsol Yang","orcid":"https://orcid.org/0000-0003-3444-5158"},"institutions":[{"id":"https://openalex.org/I139264467","display_name":"Seoul National University","ror":"https://ror.org/04h9pn542","country_code":"KR","type":"education","lineage":["https://openalex.org/I139264467"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Jinsol Yang","raw_affiliation_strings":["Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea","institution_ids":["https://openalex.org/I139264467"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065076572","display_name":"Sohee Kwon","orcid":"https://orcid.org/0000-0003-3447-4610"},"institutions":[{"id":"https://openalex.org/I139264467","display_name":"Seoul National University","ror":"https://ror.org/04h9pn542","country_code":"KR","type":"education","lineage":["https://openalex.org/I139264467"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Sohee Kwon","raw_affiliation_strings":["Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea","institution_ids":["https://openalex.org/I139264467"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002402098","display_name":"Sang\u2010Hun Bae","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Sang-Hun Bae","raw_affiliation_strings":["Dr. Noah Biotech, Gwanggyo Ace Tower 2, 256 Changyoung-daero, Yeongtong-gu, Suwon 16229, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dr. Noah Biotech, Gwanggyo Ace Tower 2, 256 Changyoung-daero, Yeongtong-gu, Suwon 16229, Republic of Korea","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026374546","display_name":"Kyoung Mii Park","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kyoung Mii Park","raw_affiliation_strings":["Dr. Noah Biotech, Gwanggyo Ace Tower 2, 256 Changyoung-daero, Yeongtong-gu, Suwon 16229, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dr. Noah Biotech, Gwanggyo Ace Tower 2, 256 Changyoung-daero, Yeongtong-gu, Suwon 16229, Republic of Korea","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061463776","display_name":"Changsik Yoon","orcid":"https://orcid.org/0000-0002-9543-3655"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Changsik Yoon","raw_affiliation_strings":["Dr. Noah Biotech, Gwanggyo Ace Tower 2, 256 Changyoung-daero, Yeongtong-gu, Suwon 16229, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dr. Noah Biotech, Gwanggyo Ace Tower 2, 256 Changyoung-daero, Yeongtong-gu, Suwon 16229, Republic of Korea","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100413485","display_name":"Ji\u2010Hyun Lee","orcid":"https://orcid.org/0000-0001-6420-5150"},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Ji-Hyun Lee","raw_affiliation_strings":["Dr. Noah Biotech, Gwanggyo Ace Tower 2, 256 Changyoung-daero, Yeongtong-gu, Suwon 16229, Republic of Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dr. Noah Biotech, Gwanggyo Ace Tower 2, 256 Changyoung-daero, Yeongtong-gu, Suwon 16229, Republic of Korea","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5003116915","display_name":"Chaok Seok","orcid":null},"institutions":[{"id":"https://openalex.org/I139264467","display_name":"Seoul National University","ror":"https://ror.org/04h9pn542","country_code":"KR","type":"education","lineage":["https://openalex.org/I139264467"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Chaok Seok","raw_affiliation_strings":["Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea"],"raw_orcid":"https://orcid.org/0000-0002-1419-9888","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea","institution_ids":["https://openalex.org/I139264467"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5003116915","https://openalex.org/A5100413485"],"corresponding_institution_ids":["https://openalex.org/I139264467"],"apc_list":null,"apc_paid":null,"fwci":4.0464,"has_fulltext":false,"cited_by_count":50,"citation_normalized_percentile":{"value":0.94910747,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"60","issue":"6","first_page":"3246","last_page":"3254"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T10274","display_name":"Synthesis and biological activity","score":0.9857000112533569,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9825000166893005,"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/docking","display_name":"Docking (animal)","score":0.7556676268577576},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6453307867050171},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5872786641120911},{"id":"https://openalex.org/keywords/protein\u2013ligand-docking","display_name":"Protein\u2013ligand docking","score":0.5469423532485962},{"id":"https://openalex.org/keywords/protein-ligand","display_name":"Protein ligand","score":0.5423622131347656},{"id":"https://openalex.org/keywords/structural-similarity","display_name":"Structural similarity","score":0.5278011560440063},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.492933988571167},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4703871011734009},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.43888619542121887},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.4381965398788452},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.41794365644454956},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4169206917285919},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.32077187299728394},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2614900469779968},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2262749969959259},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.22151559591293335},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.14479121565818787}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.7556676268577576},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6453307867050171},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5872786641120911},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.5469423532485962},{"id":"https://openalex.org/C109095088","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Protein ligand","level":2,"score":0.5423622131347656},{"id":"https://openalex.org/C139489369","wikidata":"https://www.wikidata.org/wiki/Q770846","display_name":"Structural similarity","level":2,"score":0.5278011560440063},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.492933988571167},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4703871011734009},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.43888619542121887},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.4381965398788452},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.41794365644454956},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4169206917285919},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.32077187299728394},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2614900469779968},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2262749969959259},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.22151559591293335},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.14479121565818787},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","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":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","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":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.0c00104","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00104","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:32401021","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/32401021","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":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1927265873","https://openalex.org/W1950993160","https://openalex.org/W1973974137","https://openalex.org/W1983478747","https://openalex.org/W1993554808","https://openalex.org/W2014123957","https://openalex.org/W2028279608","https://openalex.org/W2030860488","https://openalex.org/W2055147198","https://openalex.org/W2067114310","https://openalex.org/W2076186247","https://openalex.org/W2082744863","https://openalex.org/W2102245393","https://openalex.org/W2117109292","https://openalex.org/W2131272506","https://openalex.org/W2138180968","https://openalex.org/W2139064989","https://openalex.org/W2156125289","https://openalex.org/W2169678694","https://openalex.org/W2170169485","https://openalex.org/W2213443318","https://openalex.org/W2279376656","https://openalex.org/W2402506318","https://openalex.org/W2578119541","https://openalex.org/W2587598315","https://openalex.org/W2625186389","https://openalex.org/W2793534579","https://openalex.org/W2806547269","https://openalex.org/W2887981960","https://openalex.org/W2896002881","https://openalex.org/W2900090807","https://openalex.org/W2946412700","https://openalex.org/W2990367205"],"related_works":["https://openalex.org/W2057846043","https://openalex.org/W2336040088","https://openalex.org/W2208175234","https://openalex.org/W2100241209","https://openalex.org/W1987493370","https://openalex.org/W2422751523","https://openalex.org/W2001586003","https://openalex.org/W2027065525","https://openalex.org/W4255337529","https://openalex.org/W2058311929"],"abstract_inverted_index":{"Computational":[0],"techniques":[1],"for":[2,16,42,48],"predicting":[3,49,73],"interactions":[4,61,68,75],"of":[5,38,59,95,156],"proteins":[6],"and":[7,86,124,140,152],"druglike":[8],"molecules":[9],"have":[10,30],"often":[11],"been":[12,32],"used":[13],"to":[14,34,57,99,103,106],"search":[15],"compounds":[17],"that":[18],"bind":[19],"a":[20,43,172],"given":[21,44],"protein":[22,40,109,145,157],"with":[23,159],"high":[24,102],"affinity.":[25],"More":[26],"recently,":[27],"such":[28],"tools":[29],"also":[31],"applied":[33,105],"the":[35,92,107],"reverse":[36],"procedure":[37],"searching":[39],"targets":[41,158],"compound.":[45],"Among":[46],"methods":[47,53,72],"protein-ligand":[50,67,74,133],"interactions,":[51],"ligand-based":[52],"relying":[54],"on":[55],"similarity":[56],"ligands":[58,151],"known":[60],"are":[62,69,79,89],"effective":[63,80,116],"only":[64,81],"when":[65,82],"similar":[66],"known.":[70],"Receptor-based":[71],"by":[76,148],"molecular":[77,96],"docking":[78,97,134],"high-accuracy":[83],"receptor":[84,125],"structures":[85],"binding":[87,150],"sites":[88,153],"available.":[90],"Moreover,":[91],"computational":[93],"cost":[94],"tends":[98],"be":[100,104],"too":[101],"entire":[108],"structure":[110],"database.":[111],"In":[112,130],"this":[113,131],"paper,":[114],"an":[115],"target":[117,146],"prediction":[118],"method,":[119,132,165],"which":[120],"combines":[121],"ligand":[122,162],"similarity-based":[123,141],"structure-based":[126],"approaches,":[127],"is":[128,135,168],"introduced.":[129],"performed":[136],"after":[137],"efficient":[138],"structure-":[139],"screening.":[142],"The":[143,164],"enriched":[144],"database":[147],"predicted":[149],"allows":[154],"detection":[155],"previously":[160],"unknown":[161],"interactions.":[163],"called":[166],"GalaxySagittarius,":[167],"freely":[169],"available":[170],"as":[171],"web":[173],"server":[174],"at":[175],"http://galaxy.seoklab.org/sagittarius.":[176]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":9},{"year":2023,"cited_by_count":8},{"year":2022,"cited_by_count":13},{"year":2021,"cited_by_count":7}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
