{"id":"https://openalex.org/W2280376243","doi":"https://doi.org/10.1016/j.compbiomed.2016.02.015","title":"In silico design of high-affinity ligands for the immobilization of inulinase","display_name":"In silico design of high-affinity ligands for the immobilization of inulinase","publication_year":2016,"publication_date":"2016-02-28","ids":{"openalex":"https://openalex.org/W2280376243","doi":"https://doi.org/10.1016/j.compbiomed.2016.02.015","mag":"2280376243","pmid":"https://pubmed.ncbi.nlm.nih.gov/26945599"},"language":"en","primary_location":{"id":"doi:10.1016/j.compbiomed.2016.02.015","doi":"https://doi.org/10.1016/j.compbiomed.2016.02.015","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiomed.2016.02.015","pdf_url":null,"source":{"id":"https://openalex.org/S44278595","display_name":"Computers in Biology and Medicine","issn_l":"0010-4825","issn":["0010-4825","1879-0534"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doyens","jufo-2","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers in Biology and Medicine","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5046821470","display_name":"M. G. Holyavka","orcid":"https://orcid.org/0000-0002-1390-4119","observed_orcids":["https://orcid.org/0000-0002-1390-4119"]},"institutions":[{"id":"https://openalex.org/I71305448","display_name":"Voronezh State University","ror":"https://ror.org/0543j5e78","country_code":"RU","type":"education","lineage":["https://openalex.org/I71305448"]}],"countries":["RU"],"is_corresponding":true,"raw_author_name":"M.G. Holyavka","raw_affiliation_strings":["Voronezh State University, Universitetskaya Pl.1, Voronezh 394006, Russia. Electronic address: marinaholyavka@yahoo.com","Voronezh State University, Universitetskaya Pl.1, Voronezh 394006, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Voronezh State University, Universitetskaya Pl.1, Voronezh 394006, Russia. Electronic address: marinaholyavka@yahoo.com","institution_ids":["https://openalex.org/I71305448"]},{"raw_affiliation_string":"Voronezh State University, Universitetskaya Pl.1, Voronezh 394006, Russia","institution_ids":["https://openalex.org/I71305448"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034416211","display_name":"Maxim S. Kondratyev","orcid":"https://orcid.org/0000-0001-6717-4206","observed_orcids":["https://orcid.org/0000-0001-6717-4206"]},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035"]},{"id":"https://openalex.org/I4210155801","display_name":"Institute of Cell Biophysics","ror":"https://ror.org/05gbnpz65","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690","https://openalex.org/I4210155801"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"M.S. Kondratyev","raw_affiliation_strings":["Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia. Electronic address: ma-ko@bk.ru","Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia. Electronic address: ma-ko@bk.ru","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]},{"raw_affiliation_string":"Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049348494","display_name":"Alexander A. Samchenko","orcid":"https://orcid.org/0000-0002-9309-0177","observed_orcids":["https://orcid.org/0000-0002-9309-0177"]},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035"]},{"id":"https://openalex.org/I4210155801","display_name":"Institute of Cell Biophysics","ror":"https://ror.org/05gbnpz65","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690","https://openalex.org/I4210155801"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"A.A. Samchenko","raw_affiliation_strings":["Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia. Electronic address: sam4enkoaa@mail.ru","Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia. Electronic address: sam4enkoaa@mail.ru","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]},{"raw_affiliation_string":"Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049306066","display_name":"Artem V. Kabanov","orcid":"https://orcid.org/0000-0002-2277-0263","observed_orcids":["https://orcid.org/0000-0002-2277-0263"]},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035"]},{"id":"https://openalex.org/I4210155801","display_name":"Institute of Cell Biophysics","ror":"https://ror.org/05gbnpz65","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690","https://openalex.org/I4210155801"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"A.V. Kabanov","raw_affiliation_strings":["Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia. Electronic address: kabanov@mail.ru","Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia. Electronic address: kabanov@mail.ru","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]},{"raw_affiliation_string":"Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037606284","display_name":"Vladislav Mikhailovich Komarov","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I1313323035","display_name":"Russian Academy of Sciences","ror":"https://ror.org/05qrfxd25","country_code":"RU","type":"government","lineage":["https://openalex.org/I1313323035"]},{"id":"https://openalex.org/I4210155801","display_name":"Institute of Cell Biophysics","ror":"https://ror.org/05gbnpz65","country_code":"RU","type":"facility","lineage":["https://openalex.org/I1313323035","https://openalex.org/I4210129690","https://openalex.org/I4210155801"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"V.M. Komarov","raw_affiliation_strings":["Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia. Electronic address: komarov@icb.psn.ru","Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia. Electronic address: komarov@icb.psn.ru","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]},{"raw_affiliation_string":"Institute of Cell Biophysics of the Russian Academy of Sciences, Institutskaya St. 3, Pushchino 142290, Moscow region, Russia","institution_ids":["https://openalex.org/I1313323035","https://openalex.org/I4210155801"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5042209906","display_name":"Valery G. Artyukhov","orcid":"https://orcid.org/0000-0002-5872-8382","observed_orcids":["https://orcid.org/0000-0002-5872-8382"]},"institutions":[{"id":"https://openalex.org/I71305448","display_name":"Voronezh State University","ror":"https://ror.org/0543j5e78","country_code":"RU","type":"education","lineage":["https://openalex.org/I71305448"]}],"countries":["RU"],"is_corresponding":false,"raw_author_name":"V.G. Artyukhov","raw_affiliation_strings":["Voronezh State University, Universitetskaya Pl.1, Voronezh 394006, Russia. Electronic address: artyukhov@bio.vsu.ru","Voronezh State University, Universitetskaya Pl.1, Voronezh 394006, Russia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Voronezh State University, Universitetskaya Pl.1, Voronezh 394006, Russia. Electronic address: artyukhov@bio.vsu.ru","institution_ids":["https://openalex.org/I71305448"]},{"raw_affiliation_string":"Voronezh State University, Universitetskaya Pl.1, Voronezh 394006, Russia","institution_ids":["https://openalex.org/I71305448"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5046821470"],"corresponding_institution_ids":["https://openalex.org/I71305448"],"apc_list":{"value":3080,"currency":"USD","value_usd":3080},"apc_paid":null,"fwci":0.5614,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.60912638,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"71","issue":null,"first_page":"198","last_page":"204"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10404","display_name":"Enzyme Catalysis and Immobilization","score":0.9771000146865845,"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"}},"topics":[{"id":"https://openalex.org/T10404","display_name":"Enzyme Catalysis and Immobilization","score":0.9771000146865845,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.008100000210106373,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.003800000064074993,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/inulinase","display_name":"inulinase","score":0.9909999966621399},{"id":"https://openalex.org/keywords/enzyme-immobilization","display_name":"enzyme immobilization","score":0.9549999833106995},{"id":"https://openalex.org/keywords/ligand-design","display_name":"ligand design","score":0.7730000019073486},{"id":"https://openalex.org/keywords/aspergillus-ficuum","display_name":"Aspergillus ficuum","score":0.8600000143051147},{"id":"https://openalex.org/keywords/flexible-docking","display_name":"flexible docking","score":0.6399999856948853},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"virtual screening","score":0.7820000052452087},{"id":"https://openalex.org/keywords/glycoproteins","display_name":"glycoproteins","score":0.8069999814033508},{"id":"https://openalex.org/keywords/ligand-binding-site","display_name":"ligand binding sites","score":0.7879999876022339},{"id":"https://openalex.org/keywords/protein-ligand-complex","display_name":"protein-ligand complex","score":0.5600000023841858}],"concepts":[{"id":"https://openalex.org/C2780236525","wikidata":"https://www.wikidata.org/wiki/Q10859018","display_name":"Inulinase","level":3,"score":0.8318369388580322},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7640424370765686},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.5391120910644531},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.5213250517845154},{"id":"https://openalex.org/C2779201268","wikidata":"https://www.wikidata.org/wiki/Q186474","display_name":"Cysteine","level":3,"score":0.4741068482398987},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.4619790315628052},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.43521854281425476},{"id":"https://openalex.org/C2778460671","wikidata":"https://www.wikidata.org/wiki/Q485277","display_name":"Histidine","level":3,"score":0.4201246500015259},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.4143204092979431},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"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/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D001230","descriptor_name":"Aspergillus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D005656","descriptor_name":"Fungal Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D006026","descriptor_name":"Glycoside Hydrolases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.compbiomed.2016.02.015","doi":"https://doi.org/10.1016/j.compbiomed.2016.02.015","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.compbiomed.2016.02.015","pdf_url":null,"source":{"id":"https://openalex.org/S44278595","display_name":"Computers in Biology and Medicine","issn_l":"0010-4825","issn":["0010-4825","1879-0534"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doyens","jufo-2","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers in Biology and Medicine","raw_type":"journal-article"},{"id":"pmid:26945599","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26945599","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,"listed_in":[],"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":"Computers in biology and medicine","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G3844631470","display_name":null,"funder_award_id":"NS 13-04-90781/13","funder_id":"https://openalex.org/F4320321079","funder_display_name":"Russian Foundation for Basic Research"}],"funders":[{"id":"https://openalex.org/F4320321079","display_name":"Russian Foundation for Basic Research","ror":"https://ror.org/02mh1ke95"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":41,"referenced_works":["https://openalex.org/W1906861545","https://openalex.org/W1987097654","https://openalex.org/W1995301920","https://openalex.org/W1999175064","https://openalex.org/W2001547819","https://openalex.org/W2002405326","https://openalex.org/W2003261628","https://openalex.org/W2023459508","https://openalex.org/W2024182467","https://openalex.org/W2024904983","https://openalex.org/W2026448859","https://openalex.org/W2028046413","https://openalex.org/W2031069393","https://openalex.org/W2032765044","https://openalex.org/W2034022279","https://openalex.org/W2036394549","https://openalex.org/W2036967869","https://openalex.org/W2046823495","https://openalex.org/W2050937394","https://openalex.org/W2056901997","https://openalex.org/W2070931122","https://openalex.org/W2074473216","https://openalex.org/W2074609854","https://openalex.org/W2075631102","https://openalex.org/W2077677465","https://openalex.org/W2088006947","https://openalex.org/W2096940164","https://openalex.org/W2105668062","https://openalex.org/W2112855704","https://openalex.org/W2114273312","https://openalex.org/W2129629713","https://openalex.org/W2129714371","https://openalex.org/W2131346866","https://openalex.org/W2134967712","https://openalex.org/W2169075898","https://openalex.org/W2169942624","https://openalex.org/W2177551934","https://openalex.org/W2236371867","https://openalex.org/W2320211095","https://openalex.org/W2324973243","https://openalex.org/W2403369691"],"related_works":["https://openalex.org/W4401763009","https://openalex.org/W1583137807","https://openalex.org/W2607749075","https://openalex.org/W2963520217","https://openalex.org/W7203944616","https://openalex.org/W2046823495","https://openalex.org/W1982938123","https://openalex.org/W2970367150","https://openalex.org/W4392568761","https://openalex.org/W2024142904"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":3},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":3},{"year":2016,"cited_by_count":1}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2016-06-24T00:00:00"}
