{"id":"https://openalex.org/W4220718175","doi":"https://doi.org/10.1021/acs.jcim.1c01176","title":"ProBiS-Dock: A Hybrid Multitemplate Homology Flexible Docking Algorithm Enabled by Protein Binding Site Comparison","display_name":"ProBiS-Dock: A Hybrid Multitemplate Homology Flexible Docking Algorithm Enabled by Protein Binding Site Comparison","publication_year":2022,"publication_date":"2022-03-15","ids":{"openalex":"https://openalex.org/W4220718175","doi":"https://doi.org/10.1021/acs.jcim.1c01176","pmid":"https://pubmed.ncbi.nlm.nih.gov/35289616"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.1c01176","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c01176","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/A5007997462","display_name":"Janez Konc","orcid":"https://orcid.org/0000-0003-0160-3375"},"institutions":[{"id":"https://openalex.org/I4210152560","display_name":"National Institute of Chemistry","ror":"https://ror.org/050mac570","country_code":"SI","type":"facility","lineage":["https://openalex.org/I4210152560"]}],"countries":["SI"],"is_corresponding":true,"raw_author_name":"Janez Konc","raw_affiliation_strings":["National Institute of Chemistry, Theory Department, Hajdrihova 19, SI-1001 Ljubljana, Slovenia"],"raw_orcid":"https://orcid.org/0000-0003-0160-3375","affiliations":[{"raw_affiliation_string":"National Institute of Chemistry, Theory Department, Hajdrihova 19, SI-1001 Ljubljana, Slovenia","institution_ids":["https://openalex.org/I4210152560"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032088268","display_name":"Samo Le\u0161nik","orcid":"https://orcid.org/0000-0002-0613-6959"},"institutions":[{"id":"https://openalex.org/I4210152560","display_name":"National Institute of Chemistry","ror":"https://ror.org/050mac570","country_code":"SI","type":"facility","lineage":["https://openalex.org/I4210152560"]}],"countries":["SI"],"is_corresponding":false,"raw_author_name":"Samo Le\u0161nik","raw_affiliation_strings":["National Institute of Chemistry, Theory Department, Hajdrihova 19, SI-1001 Ljubljana, Slovenia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"National Institute of Chemistry, Theory Department, Hajdrihova 19, SI-1001 Ljubljana, Slovenia","institution_ids":["https://openalex.org/I4210152560"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007096285","display_name":"Bla\u017e \u0160krlj","orcid":"https://orcid.org/0000-0002-9916-8756"},"institutions":[{"id":"https://openalex.org/I3006985408","display_name":"Jo\u017eef Stefan Institute","ror":"https://ror.org/05060sz93","country_code":"SI","type":"facility","lineage":["https://openalex.org/I3006985408"]},{"id":"https://openalex.org/I4210113529","display_name":"Jo\u017eef Stefan International Postgraduate School","ror":"https://ror.org/01hdkb925","country_code":"SI","type":"education","lineage":["https://openalex.org/I4210113529"]},{"id":"https://openalex.org/I4210152560","display_name":"National Institute of Chemistry","ror":"https://ror.org/050mac570","country_code":"SI","type":"facility","lineage":["https://openalex.org/I4210152560"]}],"countries":["SI"],"is_corresponding":false,"raw_author_name":"Bla\u017e \u0160krlj","raw_affiliation_strings":["Jozef Stefan Institute, Jamova cesta 39, SI-1000 Ljubljana, Slovenia","Jozef Stefan International Postgraduate School, Jamova cesta 39, SI-1000 Ljubljana, Slovenia","National Institute of Chemistry, Theory Department, Hajdrihova 19, SI-1001 Ljubljana, Slovenia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Jozef Stefan Institute, Jamova cesta 39, SI-1000 Ljubljana, Slovenia","institution_ids":["https://openalex.org/I3006985408"]},{"raw_affiliation_string":"Jozef Stefan International Postgraduate School, Jamova cesta 39, SI-1000 Ljubljana, Slovenia","institution_ids":["https://openalex.org/I4210113529"]},{"raw_affiliation_string":"National Institute of Chemistry, Theory Department, Hajdrihova 19, SI-1001 Ljubljana, Slovenia","institution_ids":["https://openalex.org/I4210152560"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033808926","display_name":"Matej Sova","orcid":"https://orcid.org/0000-0002-8977-3450"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Matej Sova","raw_affiliation_strings":["Faculty of Pharmacy, The Chair of Pharmaceutical Chemistry, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Pharmacy, The Chair of Pharmaceutical Chemistry, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067677496","display_name":"Matic Proj","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Matic Proj","raw_affiliation_strings":["Faculty of Pharmacy, The Chair of Pharmaceutical Chemistry, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia"],"raw_orcid":"https://orcid.org/0000-0003-4043-9686","affiliations":[{"raw_affiliation_string":"Faculty of Pharmacy, The Chair of Pharmaceutical Chemistry, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024040366","display_name":"Damijan Knez","orcid":"https://orcid.org/0000-0001-9917-1384"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Damijan Knez","raw_affiliation_strings":["Faculty of Pharmacy, The Chair of Pharmaceutical Chemistry, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia"],"raw_orcid":"https://orcid.org/0000-0001-9917-1384","affiliations":[{"raw_affiliation_string":"Faculty of Pharmacy, The Chair of Pharmaceutical Chemistry, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013720618","display_name":"Stanislav Gobec","orcid":"https://orcid.org/0000-0002-9678-3083"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Stanislav Gobec","raw_affiliation_strings":["Faculty of Pharmacy, The Chair of Pharmaceutical Chemistry, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia"],"raw_orcid":"https://orcid.org/0000-0002-9678-3083","affiliations":[{"raw_affiliation_string":"Faculty of Pharmacy, The Chair of Pharmaceutical Chemistry, A\u0161ker\u010deva cesta 7, SI-1000 Ljubljana, Slovenia","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074495088","display_name":"Du\u0161anka Jane\u017ei\u010d","orcid":"https://orcid.org/0000-0003-4067-0116"},"institutions":[{"id":"https://openalex.org/I118905719","display_name":"University of Primorska","ror":"https://ror.org/05xefg082","country_code":"SI","type":"education","lineage":["https://openalex.org/I118905719"]}],"countries":["SI"],"is_corresponding":true,"raw_author_name":"Du\u0161anka Jane\u017ei\u010d","raw_affiliation_strings":["Faculty of Mathematics, Natural Sciences and Information Technologies, Glagolja\u0161ka ulica 8, SI-6000 Koper, Slovenia"],"raw_orcid":"https://orcid.org/0000-0003-4067-0116","affiliations":[{"raw_affiliation_string":"Faculty of Mathematics, Natural Sciences and Information Technologies, Glagolja\u0161ka ulica 8, SI-6000 Koper, Slovenia","institution_ids":["https://openalex.org/I118905719"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5007997462","https://openalex.org/A5074495088"],"corresponding_institution_ids":["https://openalex.org/I118905719","https://openalex.org/I4210152560"],"apc_list":null,"apc_paid":null,"fwci":1.6753,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.85478512,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"62","issue":"6","first_page":"1573","last_page":"1584"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9988999962806702,"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":0.9988999962806702,"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/T11337","display_name":"Tryptophan and brain disorders","score":0.9937999844551086,"subfield":{"id":"https://openalex.org/subfields/2803","display_name":"Biological Psychiatry"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9905999898910522,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/dock","display_name":"DOCK","score":0.9601755142211914},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank (RCSB PDB)","score":0.8237260580062866},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.8133014440536499},{"id":"https://openalex.org/keywords/protein\u2013ligand-docking","display_name":"Protein\u2013ligand docking","score":0.6671000123023987},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.6343734264373779},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5826355218887329},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5536990165710449},{"id":"https://openalex.org/keywords/homology-modeling","display_name":"Homology modeling","score":0.541245698928833},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.5309887528419495},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank","score":0.5164232850074768},{"id":"https://openalex.org/keywords/active-site","display_name":"Active site","score":0.46382179856300354},{"id":"https://openalex.org/keywords/binding-site","display_name":"Binding site","score":0.4271208643913269},{"id":"https://openalex.org/keywords/modeller","display_name":"MODELLER","score":0.41821953654289246},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4102831780910492},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.38439998030662537},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.35775813460350037},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.34275928139686584},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.25646448135375977},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.25066179037094116},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.24041756987571716},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.1918962299823761}],"concepts":[{"id":"https://openalex.org/C93073132","wikidata":"https://www.wikidata.org/wiki/Q24726581","display_name":"DOCK","level":2,"score":0.9601755142211914},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.8237260580062866},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.8133014440536499},{"id":"https://openalex.org/C77319485","wikidata":"https://www.wikidata.org/wiki/Q7251520","display_name":"Protein\u2013ligand docking","level":4,"score":0.6671000123023987},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6343734264373779},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5826355218887329},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5536990165710449},{"id":"https://openalex.org/C169627665","wikidata":"https://www.wikidata.org/wiki/Q5767913","display_name":"Homology modeling","level":3,"score":0.541245698928833},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.5309887528419495},{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.5164232850074768},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.46382179856300354},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.4271208643913269},{"id":"https://openalex.org/C193153401","wikidata":"https://www.wikidata.org/wiki/Q3859815","display_name":"MODELLER","level":4,"score":0.41821953654289246},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4102831780910492},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.38439998030662537},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.35775813460350037},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.34275928139686584},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.25646448135375977},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.25066179037094116},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.24041756987571716},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.1918962299823761},{"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/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","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":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"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":"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":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"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":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.1c01176","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.1c01176","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:35289616","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35289616","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":[{"display_name":"Good health and well-being","score":0.6200000047683716,"id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G1600040586","display_name":null,"funder_award_id":"P1-0208","funder_id":"https://openalex.org/F4320322554","funder_display_name":"Javna Agencija za Raziskovalno Dejavnost RS"},{"id":"https://openalex.org/G2070509478","display_name":null,"funder_award_id":"J1-1715","funder_id":"https://openalex.org/F4320322554","funder_display_name":"Javna Agencija za Raziskovalno Dejavnost RS"},{"id":"https://openalex.org/G4294235106","display_name":null,"funder_award_id":"J1-9186","funder_id":"https://openalex.org/F4320322554","funder_display_name":"Javna Agencija za Raziskovalno Dejavnost RS"},{"id":"https://openalex.org/G4652101948","display_name":null,"funder_award_id":"N1-0142","funder_id":"https://openalex.org/F4320322554","funder_display_name":"Javna Agencija za Raziskovalno Dejavnost RS"},{"id":"https://openalex.org/G6946677552","display_name":null,"funder_award_id":"L7-8269","funder_id":"https://openalex.org/F4320322554","funder_display_name":"Javna Agencija za Raziskovalno Dejavnost RS"},{"id":"https://openalex.org/G7168838956","display_name":null,"funder_award_id":"N1-0209","funder_id":"https://openalex.org/F4320322554","funder_display_name":"Javna Agencija za Raziskovalno Dejavnost RS"}],"funders":[{"id":"https://openalex.org/F4320322554","display_name":"Javna Agencija za Raziskovalno Dejavnost RS","ror":"https://ror.org/059bp8k51"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":36,"referenced_works":["https://openalex.org/W1757990252","https://openalex.org/W1968319881","https://openalex.org/W1973462822","https://openalex.org/W1993976538","https://openalex.org/W2017371906","https://openalex.org/W2027210963","https://openalex.org/W2042572511","https://openalex.org/W2051434435","https://openalex.org/W2096863497","https://openalex.org/W2100678718","https://openalex.org/W2125781388","https://openalex.org/W2134967712","https://openalex.org/W2138770756","https://openalex.org/W2144477832","https://openalex.org/W2146940292","https://openalex.org/W2165535543","https://openalex.org/W2170088433","https://openalex.org/W2293744162","https://openalex.org/W2296575546","https://openalex.org/W2302424742","https://openalex.org/W2319902168","https://openalex.org/W2322633051","https://openalex.org/W2399060478","https://openalex.org/W2546614309","https://openalex.org/W2559719101","https://openalex.org/W2898364362","https://openalex.org/W2900167333","https://openalex.org/W2940022392","https://openalex.org/W2949223833","https://openalex.org/W2957176022","https://openalex.org/W2969325194","https://openalex.org/W3007329471","https://openalex.org/W3099941867","https://openalex.org/W3136054610","https://openalex.org/W3172303648","https://openalex.org/W3196942650"],"related_works":["https://openalex.org/W2090630809","https://openalex.org/W2106612397","https://openalex.org/W4387804157","https://openalex.org/W2518314460","https://openalex.org/W2589205199","https://openalex.org/W2119891507","https://openalex.org/W2089869950","https://openalex.org/W2047544230","https://openalex.org/W585106548","https://openalex.org/W2084743099"],"abstract_inverted_index":{"The":[0,116,163],"protein":[1,10],"data":[2],"bank":[3],"(PDB)":[4],"is":[5,65,143,165],"a":[6,27,70,77],"rich":[7],"source":[8],"of":[9,69,86,118,132,135,156],"ligand":[11,59],"structures,":[12],"but":[13],"ligands":[14,108],"are":[15],"not":[16],"explicitly":[17],"used":[18],"in":[19,56,96,113,127],"current":[20],"docking":[21,28,85],"algorithms.":[22],"We":[23],"have":[24],"developed":[25],"ProBiS-Dock,":[26],"algorithm":[29],"complementary":[30],"to":[31,89,168],"the":[32,114,119,130,152,160],"ProBiS-Dock":[33,82],"Database":[34],"(J.":[35],"Chem.":[36],"Inf.":[37],"Model.":[38],"2021,":[39],"61,":[40],"4097\u20134107)":[41],"that":[42,67,142],"treats":[43],"small":[44,87],"molecules":[45,88],"and":[46,52,76,91,150],"proteins":[47,90],"as":[48],"fully":[49],"flexible":[50],"entities":[51],"allows":[53],"conformational":[54],"changes":[55],"both":[57],"after":[58],"binding.":[60],"A":[61],"new":[62,106,133],"scoring":[63,73,80],"function":[64,74],"described":[66],"consists":[68],"binding":[71],"site-specific":[72],"(ProBiS-Score)":[75],"general":[78],"statistical":[79],"function.":[81],"enables":[83,102],"rapid":[84,103],"has":[92,124],"been":[93,125],"successfully":[94],"validated":[95],"silico":[97],"against":[98],"standard":[99],"benchmarks.":[100],"It":[101],"search":[104],"for":[105,121,147],"active":[107],"by":[109,129],"leveraging":[110],"existing":[111],"knowledge":[112],"PDB.":[115],"potential":[117],"software":[120,164],"drug":[122],"development":[123],"confirmed":[126],"vitro":[128],"discovery":[131],"inhibitors":[134],"human":[136],"indoleamine":[137],"2,3-dioxygenase":[138],"1,":[139],"an":[140,144],"enzyme":[141],"attractive":[145],"target":[146],"cancer":[148],"therapy":[149],"catalyzes":[151],"first":[153],"rate-determining":[154],"step":[155],"l-tryptophan":[157],"metabolism":[158],"via":[159],"kynurenine":[161],"pathway.":[162],"freely":[166],"available":[167],"academic":[169],"users":[170],"at":[171],"http://insilab.org/probisdock.":[172]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2}],"updated_date":"2026-05-16T08:24:45.110214","created_date":"2025-10-10T00:00:00"}