{"id":"https://openalex.org/W4404089977","doi":"https://doi.org/10.1021/acs.jcim.4c01718","title":"StaPep: An Open-Source Toolkit for Structure Prediction, Feature Extraction, and Rational Design of Hydrocarbon-Stapled Peptides","display_name":"StaPep: An Open-Source Toolkit for Structure Prediction, Feature Extraction, and Rational Design of Hydrocarbon-Stapled Peptides","publication_year":2024,"publication_date":"2024-11-06","ids":{"openalex":"https://openalex.org/W4404089977","doi":"https://doi.org/10.1021/acs.jcim.4c01718","pmid":"https://pubmed.ncbi.nlm.nih.gov/39503524"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c01718","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c01718","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/A5100407681","display_name":"Zhe Wang","orcid":"https://orcid.org/0000-0003-4102-1353"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]},{"id":"https://openalex.org/I4210142178","display_name":"Hangzhou DAC Biotech (China)","ror":"https://ror.org/04hy71c73","country_code":"CN","type":"company","lineage":["https://openalex.org/I4210142178"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhe Wang","raw_affiliation_strings":["Hangzhou VicrobX Biotech Co., Ltd., Hangzhou 310018, China","Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China"],"affiliations":[{"raw_affiliation_string":"Hangzhou VicrobX Biotech Co., Ltd., Hangzhou 310018, China","institution_ids":["https://openalex.org/I4210142178"]},{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101768294","display_name":"Jianping Wu","orcid":"https://orcid.org/0000-0002-9924-7307"},"institutions":[{"id":"https://openalex.org/I168879160","display_name":"Zhejiang University of Science and Technology","ror":"https://ror.org/05mx0wr29","country_code":"CN","type":"education","lineage":["https://openalex.org/I168879160"]},{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jianping Wu","raw_affiliation_strings":["Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China","ZJU-Hangzhou Global Scientific and Technological Innovation Center, Hangzhou 311215, China"],"affiliations":[{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China","institution_ids":["https://openalex.org/I76130692"]},{"raw_affiliation_string":"ZJU-Hangzhou Global Scientific and Technological Innovation Center, Hangzhou 311215, China","institution_ids":["https://openalex.org/I168879160"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002954500","display_name":"Mengjun Zheng","orcid":null},"institutions":[{"id":"https://openalex.org/I177933477","display_name":"Second Military Medical University","ror":"https://ror.org/04tavpn47","country_code":"CN","type":"education","lineage":["https://openalex.org/I177933477"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mengjun Zheng","raw_affiliation_strings":["School of Pharmacy, Second Military Medical University, Shanghai 200433, China"],"affiliations":[{"raw_affiliation_string":"School of Pharmacy, Second Military Medical University, Shanghai 200433, China","institution_ids":["https://openalex.org/I177933477"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5034237937","display_name":"Chenchen Geng","orcid":null},"institutions":[{"id":"https://openalex.org/I177933477","display_name":"Second Military Medical University","ror":"https://ror.org/04tavpn47","country_code":"CN","type":"education","lineage":["https://openalex.org/I177933477"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chenchen Geng","raw_affiliation_strings":["School of Pharmacy, Second Military Medical University, Shanghai 200433, China"],"affiliations":[{"raw_affiliation_string":"School of Pharmacy, Second Military Medical University, Shanghai 200433, China","institution_ids":["https://openalex.org/I177933477"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113310645","display_name":"Borui Zhen","orcid":null},"institutions":[{"id":"https://openalex.org/I177933477","display_name":"Second Military Medical University","ror":"https://ror.org/04tavpn47","country_code":"CN","type":"education","lineage":["https://openalex.org/I177933477"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Borui Zhen","raw_affiliation_strings":["School of Pharmacy, Second Military Medical University, Shanghai 200433, China"],"affiliations":[{"raw_affiliation_string":"School of Pharmacy, Second Military Medical University, Shanghai 200433, China","institution_ids":["https://openalex.org/I177933477"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100414775","display_name":"Weidong Zhang","orcid":"https://orcid.org/0000-0002-4700-1276"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]},{"id":"https://openalex.org/I4210142178","display_name":"Hangzhou DAC Biotech (China)","ror":"https://ror.org/04hy71c73","country_code":"CN","type":"company","lineage":["https://openalex.org/I4210142178"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Zhang","raw_affiliation_strings":["Hangzhou VicrobX Biotech Co., Ltd., Hangzhou 310018, China","Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China"],"affiliations":[{"raw_affiliation_string":"Hangzhou VicrobX Biotech Co., Ltd., Hangzhou 310018, China","institution_ids":["https://openalex.org/I4210142178"]},{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5107398901","display_name":"Hui Wu","orcid":null},"institutions":[{"id":"https://openalex.org/I4210139169","display_name":"Hua Medicine (China)","ror":"https://ror.org/03xpnp312","country_code":"CN","type":"company","lineage":["https://openalex.org/I4210139169"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hui Wu","raw_affiliation_strings":["Huadong Medicine Co., Ltd., Hangzhou 310015, China"],"affiliations":[{"raw_affiliation_string":"Huadong Medicine Co., Ltd., Hangzhou 310015, China","institution_ids":["https://openalex.org/I4210139169"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064419489","display_name":"Zheng\u2010Yang Xu","orcid":"https://orcid.org/0000-0003-4605-8286"},"institutions":[{"id":"https://openalex.org/I177933477","display_name":"Second Military Medical University","ror":"https://ror.org/04tavpn47","country_code":"CN","type":"education","lineage":["https://openalex.org/I177933477"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhengyang Xu","raw_affiliation_strings":["School of Pharmacy, Second Military Medical University, Shanghai 200433, China"],"affiliations":[{"raw_affiliation_string":"School of Pharmacy, Second Military Medical University, Shanghai 200433, China","institution_ids":["https://openalex.org/I177933477"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064024234","display_name":"Gang Xu","orcid":"https://orcid.org/0000-0001-8516-8731"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Gang Xu","raw_affiliation_strings":["Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China"],"affiliations":[{"raw_affiliation_string":"Institute of Bioengineering, College of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310027, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100631623","display_name":"Shiyi Chen","orcid":"https://orcid.org/0000-0002-2913-4497"},"institutions":[{"id":"https://openalex.org/I113940042","display_name":"Shanghai University","ror":"https://ror.org/006teas31","country_code":"CN","type":"education","lineage":["https://openalex.org/I113940042"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Si Chen","raw_affiliation_strings":["School of Medicine, Shanghai University, Shanghai 200444, China"],"affiliations":[{"raw_affiliation_string":"School of Medicine, Shanghai University, Shanghai 200444, China","institution_ids":["https://openalex.org/I113940042"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100331036","display_name":"Xiang Li","orcid":"https://orcid.org/0000-0002-9161-1848"},"institutions":[{"id":"https://openalex.org/I177933477","display_name":"Second Military Medical University","ror":"https://ror.org/04tavpn47","country_code":"CN","type":"education","lineage":["https://openalex.org/I177933477"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xiang Li","raw_affiliation_strings":["School of Pharmacy, Second Military Medical University, Shanghai 200433, China"],"affiliations":[{"raw_affiliation_string":"School of Pharmacy, Second Military Medical University, Shanghai 200433, China","institution_ids":["https://openalex.org/I177933477"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":11,"corresponding_author_ids":["https://openalex.org/A5064024234","https://openalex.org/A5100331036","https://openalex.org/A5100631623"],"corresponding_institution_ids":["https://openalex.org/I113940042","https://openalex.org/I177933477","https://openalex.org/I76130692"],"apc_list":null,"apc_paid":null,"fwci":2.0004,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.86991391,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":98,"max":100},"biblio":{"volume":"64","issue":"24","first_page":"9361","last_page":"9373"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9991999864578247,"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":0.9991999864578247,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.9975000023841858,"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":0.9969000220298767,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/rational-design","display_name":"Rational design","score":0.6502423882484436},{"id":"https://openalex.org/keywords/hydrocarbon","display_name":"Hydrocarbon","score":0.5659440159797668},{"id":"https://openalex.org/keywords/extraction","display_name":"Extraction (chemistry)","score":0.5654957890510559},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5276417136192322},{"id":"https://openalex.org/keywords/feature","display_name":"Feature (linguistics)","score":0.49944472312927246},{"id":"https://openalex.org/keywords/open-source","display_name":"Open source","score":0.46367523074150085},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.41871920228004456},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.34625154733657837},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.34505680203437805},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3414141833782196},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3401058316230774},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.23158690333366394},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.21874630451202393},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.13352808356285095},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.13207802176475525},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.10777068138122559},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.10314476490020752},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.0933045744895935}],"concepts":[{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.6502423882484436},{"id":"https://openalex.org/C2777207669","wikidata":"https://www.wikidata.org/wiki/Q43648","display_name":"Hydrocarbon","level":2,"score":0.5659440159797668},{"id":"https://openalex.org/C4725764","wikidata":"https://www.wikidata.org/wiki/Q844704","display_name":"Extraction (chemistry)","level":2,"score":0.5654957890510559},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5276417136192322},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.49944472312927246},{"id":"https://openalex.org/C3018397939","wikidata":"https://www.wikidata.org/wiki/Q3644502","display_name":"Open source","level":3,"score":0.46367523074150085},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.41871920228004456},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.34625154733657837},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.34505680203437805},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3414141833782196},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3401058316230774},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.23158690333366394},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.21874630451202393},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.13352808356285095},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.13207802176475525},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.10777068138122559},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.10314476490020752},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0933045744895935},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.0},{"id":"https://openalex.org/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006838","descriptor_name":"Hydrocarbons","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D006838","descriptor_name":"Hydrocarbons","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D006838","descriptor_name":"Hydrocarbons","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","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":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"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":"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":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.4c01718","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c01718","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:39503524","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39503524","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":[],"awards":[{"id":"https://openalex.org/G899913123","display_name":null,"funder_award_id":"82404509","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"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":51,"referenced_works":["https://openalex.org/W26485700","https://openalex.org/W1536886974","https://openalex.org/W1975304761","https://openalex.org/W1990299806","https://openalex.org/W2009113274","https://openalex.org/W2016447529","https://openalex.org/W2033495141","https://openalex.org/W2038681300","https://openalex.org/W2041808719","https://openalex.org/W2050625197","https://openalex.org/W2065601090","https://openalex.org/W2075692164","https://openalex.org/W2110957294","https://openalex.org/W2129115651","https://openalex.org/W2152800101","https://openalex.org/W2169678694","https://openalex.org/W2171464043","https://openalex.org/W2509008602","https://openalex.org/W2611281850","https://openalex.org/W2789857505","https://openalex.org/W2793168264","https://openalex.org/W2794498378","https://openalex.org/W2895107434","https://openalex.org/W2914645084","https://openalex.org/W2945543430","https://openalex.org/W2949223833","https://openalex.org/W2952859191","https://openalex.org/W2967078590","https://openalex.org/W3007759740","https://openalex.org/W3010907323","https://openalex.org/W3049668924","https://openalex.org/W3109083240","https://openalex.org/W3137444090","https://openalex.org/W3161474404","https://openalex.org/W4206436292","https://openalex.org/W4210484271","https://openalex.org/W4212959738","https://openalex.org/W4213345021","https://openalex.org/W4220751121","https://openalex.org/W4223552703","https://openalex.org/W4281606338","https://openalex.org/W4315645662","https://openalex.org/W4320483828","https://openalex.org/W4327550249","https://openalex.org/W4384120632","https://openalex.org/W4388492286","https://openalex.org/W4388885402","https://openalex.org/W4390126076","https://openalex.org/W4391310410","https://openalex.org/W4393289808","https://openalex.org/W4403817632"],"related_works":["https://openalex.org/W2382340815","https://openalex.org/W1972650408","https://openalex.org/W2551736466","https://openalex.org/W1997566113","https://openalex.org/W3189652131","https://openalex.org/W2908740012","https://openalex.org/W1967793880","https://openalex.org/W2792066564","https://openalex.org/W1186905254","https://openalex.org/W2898703579"],"abstract_inverted_index":{"All-hydrocarbon":[0],"stapled":[1,142,160],"peptides,":[2,143],"with":[3,82,106,165],"their":[4],"covalent":[5],"side-chain":[6],"constraints,":[7],"provide":[8],"enhanced":[9],"proteolytic":[10],"stability":[11],"and":[12,26,51,67,70,80,121,140,180,190],"membrane":[13],"permeability,":[14],"making":[15],"them":[16],"superior":[17],"to":[18,29,136,154],"linear":[19],"peptides.":[20,57,186],"However,":[21],"tools":[22],"for":[23,47,55,85,118,184],"extracting":[24],"structural":[25,116],"physicochemical":[27],"descriptors":[28],"predict":[30,155],"the":[31,156],"properties":[32],"of":[33,103,110,147,159,169],"hydrocarbon-stapled":[34,56,185],"peptides":[35,60,105,161],"are":[36,193],"lacking.":[37],"To":[38],"address":[39],"this,":[40],"we":[41],"present":[42],"StaPep,":[43],"a":[44,107,166],"Python-based":[45],"toolkit":[46],"generating":[48],"3D":[49,101],"structures":[50,102],"calculating":[52],"21":[53],"features":[54,135],"StaPep":[58],"supports":[59],"containing":[61],"two":[62],"non-standard":[63,87],"amino":[64,88],"acids":[65],"(norleucine":[66],"2-aminoisobutyric":[68],"acid)":[69],"six":[71],"non-natural":[72],"anchoring":[73],"residues":[74],"(S3,":[75],"S5,":[76],"S8,":[77],"R3,":[78],"R5,":[79],"R8),":[81],"customization":[83],"options":[84],"other":[86],"acids.":[89],"We":[90],"showcase":[91],"StaPep's":[92,171],"utility":[93],"through":[94],"three":[95],"case":[96],"studies.":[97],"The":[98,125,149,187],"first":[99],"generates":[100],"these":[104],"mean":[108],"RMSD":[109],"1.62":[111],"\u00b1":[112],"0.86,":[113],"offering":[114],"essential":[115],"insights":[117],"drug":[119],"design":[120],"biological":[122],"activity":[123,158],"prediction.":[124],"second":[126],"develops":[127],"machine":[128,181],"learning":[129,182],"models":[130,153],"based":[131],"on":[132,196],"calculated":[133],"molecular":[134],"differentiate":[137],"between":[138],"membrane-permeable":[139],"non-permeable":[141],"achieving":[144],"an":[145],"AUC":[146],"0.93.":[148],"third":[150],"constructs":[151],"regression":[152],"antimicrobial":[157],"against":[162],"<i>Escherichia":[163],"coli</i>,":[164],"Pearson":[167],"correlation":[168],"0.84.":[170],"pipeline":[172],"spans":[173],"data":[174,191],"retrieval,":[175],"structure":[176],"generation,":[177],"feature":[178],"calculation,":[179],"modeling":[183],"source":[188],"codes":[189],"set":[192],"freely":[194],"available":[195],"Github:":[197],"https://github.com/dahuilangda/stapep_package.":[198]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":6}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}