{"id":"https://openalex.org/W2920028964","doi":"https://doi.org/10.1093/bioinformatics/btz152","title":"AutoDock Bias: improving binding mode prediction and virtual screening using known protein\u2013ligand interactions","display_name":"AutoDock Bias: improving binding mode prediction and virtual screening using known protein\u2013ligand interactions","publication_year":2019,"publication_date":"2019-02-27","ids":{"openalex":"https://openalex.org/W2920028964","doi":"https://doi.org/10.1093/bioinformatics/btz152","mag":"2920028964"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btz152","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz152","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/35/19/3836/48977437/bioinformatics_35_19_3836.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://academic.oup.com/bioinformatics/article-pdf/35/19/3836/48977437/bioinformatics_35_19_3836.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5023804925","display_name":"Juan Pablo Arcon","orcid":"https://orcid.org/0000-0003-3350-1576"},"institutions":[{"id":"https://openalex.org/I123431417","display_name":"Scripps Research Institute","ror":"https://ror.org/02dxx6824","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I123431417"]},{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR","US"],"is_corresponding":false,"raw_author_name":"Juan Pablo Arcon","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina","Department of Integrative Structural and Computational Biology, The Scripps Research Institute , La Jolla, CA, USA"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina","institution_ids":["https://openalex.org/I53241121","https://openalex.org/I151201029","https://openalex.org/I24354313"]},{"raw_affiliation_string":"Department of Integrative Structural and Computational Biology, The Scripps Research Institute , La Jolla, CA, USA","institution_ids":["https://openalex.org/I123431417"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048854608","display_name":"Carlos P. Modenutti","orcid":"https://orcid.org/0000-0001-5352-7234"},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Carlos P Modenutti","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina","institution_ids":["https://openalex.org/I53241121","https://openalex.org/I151201029","https://openalex.org/I24354313"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019700189","display_name":"Demian Avenda\u00f1o","orcid":null},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Demian Avenda\u00f1o","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina","institution_ids":["https://openalex.org/I53241121","https://openalex.org/I151201029","https://openalex.org/I24354313"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089014450","display_name":"Elias D. L\u00f3pez","orcid":"https://orcid.org/0000-0002-9956-0010"},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Elias D Lopez","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina","institution_ids":["https://openalex.org/I53241121","https://openalex.org/I151201029","https://openalex.org/I24354313"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081101274","display_name":"Lucas A. Defelipe","orcid":"https://orcid.org/0000-0001-7859-7300"},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Lucas A Defelipe","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina","institution_ids":["https://openalex.org/I53241121","https://openalex.org/I151201029","https://openalex.org/I24354313"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045486560","display_name":"Francesca Alessandra Ambrosio","orcid":"https://orcid.org/0000-0003-4874-2946"},"institutions":[{"id":"https://openalex.org/I123431417","display_name":"Scripps Research Institute","ror":"https://ror.org/02dxx6824","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I123431417"]},{"id":"https://openalex.org/I36443711","display_name":"Magna Graecia University","ror":"https://ror.org/0530bdk91","country_code":"IT","type":"education","lineage":["https://openalex.org/I36443711"]}],"countries":["IT","US"],"is_corresponding":false,"raw_author_name":"Francesca Alessandra Ambrosio","raw_affiliation_strings":["Department of Integrative Structural and Computational Biology, The Scripps Research Institute , La Jolla, CA, USA","Dipartimento di Scienze della Salute, Universit\u00e0 degli Studi \u201cMagna Gr\u00e6cia,\u201d Viale Europa , Catanzaro, Italy"],"affiliations":[{"raw_affiliation_string":"Department of Integrative Structural and Computational Biology, The Scripps Research Institute , La Jolla, CA, USA","institution_ids":["https://openalex.org/I123431417"]},{"raw_affiliation_string":"Dipartimento di Scienze della Salute, Universit\u00e0 degli Studi \u201cMagna Gr\u00e6cia,\u201d Viale Europa , Catanzaro, Italy","institution_ids":["https://openalex.org/I36443711"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5035789659","display_name":"Adri\u00e1n G. Turjanski","orcid":"https://orcid.org/0000-0003-2190-137X"},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR"],"is_corresponding":false,"raw_author_name":"Adrian G Turjanski","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina","institution_ids":["https://openalex.org/I53241121","https://openalex.org/I151201029","https://openalex.org/I24354313"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5068867875","display_name":"Stefano Forli","orcid":"https://orcid.org/0000-0002-5964-7111"},"institutions":[{"id":"https://openalex.org/I123431417","display_name":"Scripps Research Institute","ror":"https://ror.org/02dxx6824","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I123431417"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Stefano Forli","raw_affiliation_strings":["Department of Integrative Structural and Computational Biology, The Scripps Research Institute , La Jolla, CA, USA"],"affiliations":[{"raw_affiliation_string":"Department of Integrative Structural and Computational Biology, The Scripps Research Institute , La Jolla, CA, USA","institution_ids":["https://openalex.org/I123431417"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5089022257","display_name":"Marcelo A. Mart\u00ed","orcid":"https://orcid.org/0000-0002-7911-9340"},"institutions":[{"id":"https://openalex.org/I151201029","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59","country_code":"AR","type":"government","lineage":["https://openalex.org/I151201029","https://openalex.org/I4210123736","https://openalex.org/I4387155568"]},{"id":"https://openalex.org/I24354313","display_name":"Universidad de Buenos Aires","ror":"https://ror.org/0081fs513","country_code":"AR","type":"education","lineage":["https://openalex.org/I24354313"]},{"id":"https://openalex.org/I53241121","display_name":"Fundaci\u00f3n Ciencias Exactas y Naturales","ror":"https://ror.org/05rxmkq09","country_code":"AR","type":"nonprofit","lineage":["https://openalex.org/I53241121"]}],"countries":["AR"],"is_corresponding":true,"raw_author_name":"Marcelo A Marti","raw_affiliation_strings":["Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina"],"affiliations":[{"raw_affiliation_string":"Departamento de Qu\u00edmica Biol\u00f3gica e IQUIBICEN-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria , Buenos Aires C1428EHA, Argentina","institution_ids":["https://openalex.org/I53241121","https://openalex.org/I151201029","https://openalex.org/I24354313"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5068867875","https://openalex.org/A5089022257"],"corresponding_institution_ids":["https://openalex.org/I123431417","https://openalex.org/I151201029","https://openalex.org/I24354313","https://openalex.org/I53241121"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":6.1989,"has_fulltext":true,"cited_by_count":74,"citation_normalized_percentile":{"value":0.96783842,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":100},"biblio":{"volume":"35","issue":"19","first_page":"3836","last_page":"3838"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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":0.9922000169754028,"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":0.9857000112533569,"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/autodock","display_name":"AutoDock","score":0.8905327320098877},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.7222295999526978},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6316641569137573},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5006945133209229},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.38158971071243286},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.32874977588653564},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.14280471205711365},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.12296804785728455},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1118088960647583}],"concepts":[{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.8905327320098877},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7222295999526978},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6316641569137573},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5006945133209229},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.38158971071243286},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.32874977588653564},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.14280471205711365},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.12296804785728455},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1118088960647583},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.0},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1093/bioinformatics/btz152","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz152","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/35/19/3836/48977437/bioinformatics_35_19_3836.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:6761960","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/6761960","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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"Text"},{"id":"pmh:oai:ri.conicet.gov.ar:11336/123543","is_oa":true,"landing_page_url":"http://hdl.handle.net/11336/123543","pdf_url":null,"source":{"id":"https://openalex.org/S4306401400","display_name":"Conicet","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210104196","host_organization_name":"Centro Cient\u00edfico Tecnol\u00f3gico - Nordeste","host_organization_lineage":["https://openalex.org/I4210104196"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btz152","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btz152","pdf_url":"https://academic.oup.com/bioinformatics/article-pdf/35/19/3836/48977437/bioinformatics_35_19_3836.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2082709032","display_name":null,"funder_award_id":"R01 GM069832","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G2941795740","display_name":null,"funder_award_id":"PIP 2015-2017","funder_id":"https://openalex.org/F4320321594","funder_display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas"},{"id":"https://openalex.org/G5240304024","display_name":null,"funder_award_id":"2015-2017","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G5266274040","display_name":null,"funder_award_id":"PIP 2015","funder_id":"https://openalex.org/F4320321594","funder_display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas"},{"id":"https://openalex.org/G5883408103","display_name":null,"funder_award_id":"GM069832","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G6612484519","display_name":null,"funder_award_id":"2015-2017","funder_id":"https://openalex.org/F4320321594","funder_display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas"},{"id":"https://openalex.org/G7663575801","display_name":null,"funder_award_id":"PICT 2015-2276","funder_id":"https://openalex.org/F4320334832","funder_display_name":"Agencia Nacional de Promoci\u00f3n Cient\u00edfica y Tecnol\u00f3gica"},{"id":"https://openalex.org/G7955658648","display_name":null,"funder_award_id":"PICT 2015","funder_id":"https://openalex.org/F4320334832","funder_display_name":"Agencia Nacional de Promoci\u00f3n Cient\u00edfica y Tecnol\u00f3gica"}],"funders":[{"id":"https://openalex.org/F4320320177","display_name":"US-UK Fulbright Commission","ror":"https://ror.org/037nbwt68"},{"id":"https://openalex.org/F4320321594","display_name":"Consejo Nacional de Investigaciones Cient\u00edficas y T\u00e9cnicas","ror":"https://ror.org/03cqe8w59"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320334832","display_name":"Agencia Nacional de Promoci\u00f3n Cient\u00edfica y Tecnol\u00f3gica","ror":"https://ror.org/03stxzb56"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2920028964.pdf","grobid_xml":"https://content.openalex.org/works/W2920028964.grobid-xml"},"referenced_works_count":12,"referenced_works":["https://openalex.org/W1925334442","https://openalex.org/W1968319881","https://openalex.org/W1985588649","https://openalex.org/W2044444984","https://openalex.org/W2050456292","https://openalex.org/W2079159737","https://openalex.org/W2105668062","https://openalex.org/W2131053638","https://openalex.org/W2138337932","https://openalex.org/W2155136555","https://openalex.org/W2336040088","https://openalex.org/W2601204709"],"related_works":["https://openalex.org/W2089188080","https://openalex.org/W2336040088","https://openalex.org/W2109587698","https://openalex.org/W4245963358","https://openalex.org/W3200294295","https://openalex.org/W4210495387","https://openalex.org/W3020829968","https://openalex.org/W2057055220","https://openalex.org/W4211227887","https://openalex.org/W3100704554"],"abstract_inverted_index":{"Abstract":[0],"Summary":[1],"The":[2],"performance":[3],"of":[4,16,25,57,60],"docking":[5,66],"calculations":[6],"can":[7],"be":[8],"improved":[9],"by":[10],"tuning":[11],"parameters":[12],"for":[13,63],"the":[14,20,23,55,84],"system":[15],"interest,":[17],"e.g.":[18],"biasing":[19],"results":[21],"towards":[22],"formation":[24],"relevant":[26],"protein\u2013ligand":[27],"interactions,":[28],"such":[29],"as":[30],"known":[31],"ligand":[32],"pharmacophore":[33],"or":[34,88],"interaction":[35],"sites":[36],"derived":[37],"from":[38],"cosolvent":[39],"molecular":[40],"dynamics.":[41],"AutoDock":[42,71],"Bias":[43,72],"is":[44,73],"a":[45],"straightforward":[46],"and":[47,69,80],"easy":[48],"to":[49],"use":[50],"script-based":[51],"method":[52],"that":[53],"allows":[54],"introduction":[56],"different":[58],"types":[59],"user-defined":[61],"biases":[62],"fine-tuning":[64],"AutoDock4":[65],"calculations.":[67],"Availability":[68],"implementation":[70],"distributed":[74],"with":[75],"MGLTools":[76],"(since":[77],"version":[78],"1.5.7),":[79],"freely":[81],"available":[82,95],"on":[83],"web":[85],"at":[86,96],"http://ccsb.scripps.edu/mgltools/":[87],"http://autodockbias.wordpress.com.":[89],"Supplementary":[90,92],"information":[91],"data":[93],"are":[94],"Bioinformatics":[97],"online.":[98]},"counts_by_year":[{"year":2026,"cited_by_count":6},{"year":2025,"cited_by_count":14},{"year":2024,"cited_by_count":12},{"year":2023,"cited_by_count":11},{"year":2022,"cited_by_count":8},{"year":2021,"cited_by_count":12},{"year":2020,"cited_by_count":9},{"year":2019,"cited_by_count":2}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2019-03-11T00:00:00"}