{"id":"https://openalex.org/W4284968387","doi":"https://doi.org/10.1093/bioinformatics/btac486","title":"Docking cyclic peptides formed by a disulfide bond through a hierarchical strategy","display_name":"Docking cyclic peptides formed by a disulfide bond through a hierarchical strategy","publication_year":2022,"publication_date":"2022-07-08","ids":{"openalex":"https://openalex.org/W4284968387","doi":"https://doi.org/10.1093/bioinformatics/btac486","pmid":"https://pubmed.ncbi.nlm.nih.gov/35801933"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btac486","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btac486","pdf_url":null,"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","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/A5051853189","display_name":"Huanyu Tao","orcid":null},"institutions":[{"id":"https://openalex.org/I47720641","display_name":"Huazhong University of Science and Technology","ror":"https://ror.org/00p991c53","country_code":"CN","type":"education","lineage":["https://openalex.org/I47720641"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Huanyu Tao","raw_affiliation_strings":["School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China"],"affiliations":[{"raw_affiliation_string":"School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China","institution_ids":["https://openalex.org/I47720641"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5049396071","display_name":"Xuejun Zhao","orcid":"https://orcid.org/0000-0001-5715-8800"},"institutions":[{"id":"https://openalex.org/I47720641","display_name":"Huazhong University of Science and Technology","ror":"https://ror.org/00p991c53","country_code":"CN","type":"education","lineage":["https://openalex.org/I47720641"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xuejun Zhao","raw_affiliation_strings":["School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China"],"affiliations":[{"raw_affiliation_string":"School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China","institution_ids":["https://openalex.org/I47720641"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076673205","display_name":"Keqiong Zhang","orcid":null},"institutions":[{"id":"https://openalex.org/I47720641","display_name":"Huazhong University of Science and Technology","ror":"https://ror.org/00p991c53","country_code":"CN","type":"education","lineage":["https://openalex.org/I47720641"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Keqiong Zhang","raw_affiliation_strings":["School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China"],"affiliations":[{"raw_affiliation_string":"School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China","institution_ids":["https://openalex.org/I47720641"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101180765","display_name":"Peicong Lin","orcid":null},"institutions":[{"id":"https://openalex.org/I47720641","display_name":"Huazhong University of Science and Technology","ror":"https://ror.org/00p991c53","country_code":"CN","type":"education","lineage":["https://openalex.org/I47720641"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Peicong Lin","raw_affiliation_strings":["School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China"],"affiliations":[{"raw_affiliation_string":"School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China","institution_ids":["https://openalex.org/I47720641"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5053305024","display_name":"Sheng\u2010You Huang","orcid":"https://orcid.org/0000-0002-4209-4565"},"institutions":[{"id":"https://openalex.org/I47720641","display_name":"Huazhong University of Science and Technology","ror":"https://ror.org/00p991c53","country_code":"CN","type":"education","lineage":["https://openalex.org/I47720641"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Sheng-You Huang","raw_affiliation_strings":["School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China"],"affiliations":[{"raw_affiliation_string":"School of Physics, Huazhong University of Science and Technology , Wuhan, Hubei 430074, China","institution_ids":["https://openalex.org/I47720641"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5053305024"],"corresponding_institution_ids":["https://openalex.org/I47720641"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":1.302,"has_fulltext":false,"cited_by_count":19,"citation_normalized_percentile":{"value":0.79321464,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"38","issue":"17","first_page":"4109","last_page":"4116"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9994000196456909,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9994000196456909,"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/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9976000189781189,"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/T13326","display_name":"Biochemical and Structural Characterization","score":0.9976000189781189,"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/docking","display_name":"Docking (animal)","score":0.8370469808578491},{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.7693439722061157},{"id":"https://openalex.org/keywords/cyclic-peptide","display_name":"Cyclic peptide","score":0.7548514604568481},{"id":"https://openalex.org/keywords/autodock","display_name":"AutoDock","score":0.672605574131012},{"id":"https://openalex.org/keywords/searching-the-conformational-space-for-docking","display_name":"Searching the conformational space for docking","score":0.5050862431526184},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.46776387095451355},{"id":"https://openalex.org/keywords/disulfide-bond","display_name":"Disulfide bond","score":0.43259960412979126},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.4297352731227875},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.3935158848762512},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.3529857099056244},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.34869280457496643},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.22561118006706238},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.18540921807289124},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.08671194314956665}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.8370469808578491},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.7693439722061157},{"id":"https://openalex.org/C60984968","wikidata":"https://www.wikidata.org/wiki/Q389172","display_name":"Cyclic peptide","level":3,"score":0.7548514604568481},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.672605574131012},{"id":"https://openalex.org/C44695244","wikidata":"https://www.wikidata.org/wiki/Q7441727","display_name":"Searching the conformational space for docking","level":3,"score":0.5050862431526184},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.46776387095451355},{"id":"https://openalex.org/C27256138","wikidata":"https://www.wikidata.org/wiki/Q1230226","display_name":"Disulfide bond","level":2,"score":0.43259960412979126},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4297352731227875},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.3935158848762512},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3529857099056244},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.34869280457496643},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.22561118006706238},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.18540921807289124},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.08671194314956665},{"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},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004220","descriptor_name":"Disulfides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004220","descriptor_name":"Disulfides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004220","descriptor_name":"Disulfides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1093/bioinformatics/btac486","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btac486","pdf_url":null,"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":"pmid:35801933","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35801933","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":"Bioinformatics (Oxford, England)","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1377489580","display_name":null,"funder_award_id":"32161133002","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3310655903","display_name":null,"funder_award_id":"62072199","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321883","display_name":"Huazhong University of Science and Technology","ror":"https://ror.org/00p991c53"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":58,"referenced_works":["https://openalex.org/W149235922","https://openalex.org/W1592950931","https://openalex.org/W1609599771","https://openalex.org/W1768303176","https://openalex.org/W1938743025","https://openalex.org/W1995907662","https://openalex.org/W1998624640","https://openalex.org/W2048643046","https://openalex.org/W2054394841","https://openalex.org/W2072180710","https://openalex.org/W2109604654","https://openalex.org/W2111767148","https://openalex.org/W2117524891","https://openalex.org/W2118517681","https://openalex.org/W2119052082","https://openalex.org/W2130479394","https://openalex.org/W2137167381","https://openalex.org/W2143253814","https://openalex.org/W2149655632","https://openalex.org/W2153187042","https://openalex.org/W2156125289","https://openalex.org/W2156876686","https://openalex.org/W2165526004","https://openalex.org/W2171074980","https://openalex.org/W2177731497","https://openalex.org/W2520917239","https://openalex.org/W2529000169","https://openalex.org/W2594502287","https://openalex.org/W2594877435","https://openalex.org/W2609643846","https://openalex.org/W2620998958","https://openalex.org/W2724823461","https://openalex.org/W2757108520","https://openalex.org/W2762060418","https://openalex.org/W2768968558","https://openalex.org/W2799876761","https://openalex.org/W2802015691","https://openalex.org/W2802186587","https://openalex.org/W2802410482","https://openalex.org/W2808043011","https://openalex.org/W2899854625","https://openalex.org/W2945669687","https://openalex.org/W2947634971","https://openalex.org/W2948988173","https://openalex.org/W2952059807","https://openalex.org/W2972880929","https://openalex.org/W2979997670","https://openalex.org/W2996266725","https://openalex.org/W3014728637","https://openalex.org/W3020409391","https://openalex.org/W3118410948","https://openalex.org/W3144663550","https://openalex.org/W3159825009","https://openalex.org/W3160601127","https://openalex.org/W3177828909","https://openalex.org/W4220887281","https://openalex.org/W4225321107","https://openalex.org/W6606005393"],"related_works":["https://openalex.org/W3199423294","https://openalex.org/W2068609125","https://openalex.org/W4394874331","https://openalex.org/W1965937866","https://openalex.org/W2969945877","https://openalex.org/W2612018465","https://openalex.org/W4249766919","https://openalex.org/W4396663719","https://openalex.org/W2051163038","https://openalex.org/W4248527317"],"abstract_inverted_index":{"Supplementary":[0],"data":[1],"are":[2],"available":[3],"at":[4],"Bioinformatics":[5],"online.":[6]},"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":7},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":1}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}