{"id":"https://openalex.org/W2557567959","doi":"https://doi.org/10.1007/978-3-319-45246-3_41","title":"Rational Discovery of GSK3-Beta Modulators Aided by Protein Pocket Prediction and High-Throughput Molecular Docking","display_name":"Rational Discovery of GSK3-Beta Modulators Aided by Protein Pocket Prediction and High-Throughput Molecular Docking","publication_year":2016,"publication_date":"2016-01-01","ids":{"openalex":"https://openalex.org/W2557567959","doi":"https://doi.org/10.1007/978-3-319-45246-3_41","mag":"2557567959"},"language":"en","primary_location":{"id":"doi:10.1007/978-3-319-45246-3_41","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-319-45246-3_41","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"},"type":"book-chapter","indexed_in":["crossref"],"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/A5026816800","display_name":"Rafael Dole\u017eal","orcid":"https://orcid.org/0000-0001-9495-3934"},"institutions":[{"id":"https://openalex.org/I75092371","display_name":"University of Hradec Kr\u00e1lov\u00e9","ror":"https://ror.org/05k238v14","country_code":"CZ","type":"education","lineage":["https://openalex.org/I75092371"]},{"id":"https://openalex.org/I4210137570","display_name":"University Hospital Hradec Kr\u00e1lov\u00e9","ror":"https://ror.org/04wckhb82","country_code":"CZ","type":"funder","lineage":["https://openalex.org/I4210137570"]}],"countries":["CZ"],"is_corresponding":true,"raw_author_name":"Rafael Dolezal","raw_affiliation_strings":["Biomedical Research Center, University Hospital Hradec Kralove, Sokolska 581, 500 05, Hradec Kralove, Czech Republic","Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, Rokitanskeho 62, 50003, Hradec Kralove, Czech Republic"],"affiliations":[{"raw_affiliation_string":"Biomedical Research Center, University Hospital Hradec Kralove, Sokolska 581, 500 05, Hradec Kralove, Czech Republic","institution_ids":["https://openalex.org/I4210137570"]},{"raw_affiliation_string":"Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, Rokitanskeho 62, 50003, Hradec Kralove, Czech Republic","institution_ids":["https://openalex.org/I75092371"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039230927","display_name":"Michaela Mel\u00edkov\u00e1","orcid":"https://orcid.org/0000-0001-8658-6169"},"institutions":[{"id":"https://openalex.org/I75092371","display_name":"University of Hradec Kr\u00e1lov\u00e9","ror":"https://ror.org/05k238v14","country_code":"CZ","type":"education","lineage":["https://openalex.org/I75092371"]},{"id":"https://openalex.org/I4210137570","display_name":"University Hospital Hradec Kr\u00e1lov\u00e9","ror":"https://ror.org/04wckhb82","country_code":"CZ","type":"funder","lineage":["https://openalex.org/I4210137570"]}],"countries":["CZ"],"is_corresponding":false,"raw_author_name":"Michaela Melikova","raw_affiliation_strings":["Biomedical Research Center, University Hospital Hradec Kralove, Sokolska 581, 500 05, Hradec Kralove, Czech Republic","Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, Rokitanskeho 62, 50003, Hradec Kralove, Czech Republic"],"affiliations":[{"raw_affiliation_string":"Biomedical Research Center, University Hospital Hradec Kralove, Sokolska 581, 500 05, Hradec Kralove, Czech Republic","institution_ids":["https://openalex.org/I4210137570"]},{"raw_affiliation_string":"Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, Rokitanskeho 62, 50003, Hradec Kralove, Czech Republic","institution_ids":["https://openalex.org/I75092371"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5044560055","display_name":"Jakub M\u011bs\u00ed\u010dek","orcid":"https://orcid.org/0000-0002-0438-721X"},"institutions":[{"id":"https://openalex.org/I4210137570","display_name":"University Hospital Hradec Kr\u00e1lov\u00e9","ror":"https://ror.org/04wckhb82","country_code":"CZ","type":"funder","lineage":["https://openalex.org/I4210137570"]},{"id":"https://openalex.org/I75092371","display_name":"University of Hradec Kr\u00e1lov\u00e9","ror":"https://ror.org/05k238v14","country_code":"CZ","type":"education","lineage":["https://openalex.org/I75092371"]}],"countries":["CZ"],"is_corresponding":false,"raw_author_name":"Jakub Mesicek","raw_affiliation_strings":["Biomedical Research Center, University Hospital Hradec Kralove, Sokolska 581, 500 05, Hradec Kralove, Czech Republic","Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, Rokitanskeho 62, 50003, Hradec Kralove, Czech Republic"],"affiliations":[{"raw_affiliation_string":"Biomedical Research Center, University Hospital Hradec Kralove, Sokolska 581, 500 05, Hradec Kralove, Czech Republic","institution_ids":["https://openalex.org/I4210137570"]},{"raw_affiliation_string":"Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, Rokitanskeho 62, 50003, Hradec Kralove, Czech Republic","institution_ids":["https://openalex.org/I75092371"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5066903927","display_name":"Kamil Ku\u010da","orcid":"https://orcid.org/0000-0001-9664-1109"},"institutions":[{"id":"https://openalex.org/I75092371","display_name":"University of Hradec Kr\u00e1lov\u00e9","ror":"https://ror.org/05k238v14","country_code":"CZ","type":"education","lineage":["https://openalex.org/I75092371"]},{"id":"https://openalex.org/I4210137570","display_name":"University Hospital Hradec Kr\u00e1lov\u00e9","ror":"https://ror.org/04wckhb82","country_code":"CZ","type":"funder","lineage":["https://openalex.org/I4210137570"]}],"countries":["CZ"],"is_corresponding":false,"raw_author_name":"Kamil Kuca","raw_affiliation_strings":["Biomedical Research Center, University Hospital Hradec Kralove, Sokolska 581, 500 05, Hradec Kralove, Czech Republic","Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, Rokitanskeho 62, 50003, Hradec Kralove, Czech Republic"],"affiliations":[{"raw_affiliation_string":"Biomedical Research Center, University Hospital Hradec Kralove, Sokolska 581, 500 05, Hradec Kralove, Czech Republic","institution_ids":["https://openalex.org/I4210137570"]},{"raw_affiliation_string":"Center for Basic and Applied Research, Faculty of Informatics and Management, University of Hradec Kralove, Rokitanskeho 62, 50003, Hradec Kralove, Czech Republic","institution_ids":["https://openalex.org/I75092371"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5026816800"],"corresponding_institution_ids":["https://openalex.org/I4210137570","https://openalex.org/I75092371"],"apc_list":{"value":5000,"currency":"EUR","value_usd":5392},"apc_paid":null,"fwci":0.5006,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.66687764,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"429","last_page":"439"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"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":0.9995999932289124,"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":0.992900013923645,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9855999946594238,"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/virtual-screening","display_name":"Virtual screening","score":0.8165855407714844},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6654778718948364},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.6546019315719604},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.553534984588623},{"id":"https://openalex.org/keywords/gsk-3","display_name":"GSK-3","score":0.5525064468383789},{"id":"https://openalex.org/keywords/supercomputer","display_name":"Supercomputer","score":0.5164763927459717},{"id":"https://openalex.org/keywords/drug-design","display_name":"Drug design","score":0.49861812591552734},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.43209075927734375},{"id":"https://openalex.org/keywords/target-protein","display_name":"Target protein","score":0.4130655527114868},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.40141624212265015},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.283929705619812},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2717859148979187},{"id":"https://openalex.org/keywords/kinase","display_name":"Kinase","score":0.1588670313358307},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11790072917938232},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.10801300406455994},{"id":"https://openalex.org/keywords/parallel-computing","display_name":"Parallel computing","score":0.09020507335662842}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.8165855407714844},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6654778718948364},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6546019315719604},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.553534984588623},{"id":"https://openalex.org/C182996813","wikidata":"https://www.wikidata.org/wiki/Q910847","display_name":"GSK-3","level":3,"score":0.5525064468383789},{"id":"https://openalex.org/C83283714","wikidata":"https://www.wikidata.org/wiki/Q121117","display_name":"Supercomputer","level":2,"score":0.5164763927459717},{"id":"https://openalex.org/C192071366","wikidata":"https://www.wikidata.org/wiki/Q2991682","display_name":"Drug design","level":2,"score":0.49861812591552734},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.43209075927734375},{"id":"https://openalex.org/C2780430158","wikidata":"https://www.wikidata.org/wiki/Q7685902","display_name":"Target protein","level":3,"score":0.4130655527114868},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.40141624212265015},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.283929705619812},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2717859148979187},{"id":"https://openalex.org/C184235292","wikidata":"https://www.wikidata.org/wiki/Q421851","display_name":"Kinase","level":2,"score":0.1588670313358307},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11790072917938232},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10801300406455994},{"id":"https://openalex.org/C173608175","wikidata":"https://www.wikidata.org/wiki/Q232661","display_name":"Parallel computing","level":1,"score":0.09020507335662842},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"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}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/978-3-319-45246-3_41","is_oa":false,"landing_page_url":"https://doi.org/10.1007/978-3-319-45246-3_41","pdf_url":null,"source":{"id":"https://openalex.org/S106296714","display_name":"Lecture notes in computer science","issn_l":"0302-9743","issn":["0302-9743","1611-3349"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Lecture Notes in Computer Science","raw_type":"book-chapter"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":10,"referenced_works":["https://openalex.org/W751971231","https://openalex.org/W1539167405","https://openalex.org/W1571577887","https://openalex.org/W2030860488","https://openalex.org/W2047509756","https://openalex.org/W2048575368","https://openalex.org/W2112411768","https://openalex.org/W2164088236","https://openalex.org/W2295952321","https://openalex.org/W2481034370"],"related_works":["https://openalex.org/W2770975816","https://openalex.org/W2794598909","https://openalex.org/W2404363593","https://openalex.org/W2288229111","https://openalex.org/W4291335295","https://openalex.org/W4319162187","https://openalex.org/W2519742941","https://openalex.org/W1977633077","https://openalex.org/W4200127861","https://openalex.org/W1969469655"],"abstract_inverted_index":null,"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}