{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,4]],"date-time":"2026-06-04T05:46:19Z","timestamp":1780551979762,"version":"3.54.1"},"reference-count":39,"publisher":"Oxford University Press (OUP)","issue":"3","license":[{"start":{"date-parts":[[2024,5,6]],"date-time":"2024-05-06T00:00:00Z","timestamp":1714953600000},"content-version":"vor","delay-in-days":40,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004731","name":"Natural Science Foundation of Zhejiang Province","doi-asserted-by":"publisher","award":["LD22H300004"],"award-info":[{"award-number":["LD22H300004"]}],"id":[{"id":"10.13039\/501100004731","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2024,3,27]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>In recent years, cyclic peptides have emerged as a promising therapeutic modality due to their diverse biological activities. Understanding the structures of these cyclic peptides and their complexes is crucial for unlocking invaluable insights about protein target\u2013cyclic peptide interaction, which can facilitate the development of novel-related drugs. However, conducting experimental observations is time-consuming and expensive. Computer-aided drug design methods are not practical enough in real-world applications. To tackles this challenge, we introduce HighFold, an AlphaFold-derived model in this study. By integrating specific details about the head-to-tail circle and disulfide bridge structures, the HighFold model can accurately predict the structures of cyclic peptides and their complexes. Our model demonstrates superior predictive performance compared to other existing approaches, representing a significant advancement in structure\u2013activity research. The HighFold model is openly accessible at https:\/\/github.com\/hongliangduan\/HighFold.<\/jats:p>","DOI":"10.1093\/bib\/bbae215","type":"journal-article","created":{"date-parts":[[2024,5,6]],"date-time":"2024-05-06T06:27:52Z","timestamp":1714976872000},"source":"Crossref","is-referenced-by-count":45,"title":["HighFold: accurately predicting structures of cyclic peptides and complexes with head-to-tail and disulfide bridge constraints"],"prefix":"10.1093","volume":"25","author":[{"given":"Chenhao","family":"Zhang","sequence":"first","affiliation":[{"name":"College of Pharmaceutical Sciences, Zhejiang University of Technology , Hangzhou, 310014 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chengyun","family":"Zhang","sequence":"additional","affiliation":[{"name":"College of Pharmaceutical Sciences, Zhejiang University of Technology , Hangzhou, 310014 , China"},{"name":"AI department, Shanghai Highslab Therapeutics. Inc , Shanghai, 201203 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tianfeng","family":"Shang","sequence":"additional","affiliation":[{"name":"AI department, Shanghai Highslab Therapeutics. Inc , Shanghai, 201203 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ning","family":"Zhu","sequence":"additional","affiliation":[{"name":"China Pharmaceutical University , Nanjing, Jiangsu, 211198 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinyi","family":"Wu","sequence":"additional","affiliation":[{"name":"College of Pharmaceutical Sciences, Zhejiang University of Technology , Hangzhou, 310014 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hongliang","family":"Duan","sequence":"additional","affiliation":[{"name":"Faculty of Applied Sciences, Macao Polytechnic University , R. de Lu\u00eds Gonzaga Gomes, Macao, 999078 , China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2024,5,5]]},"reference":[{"issue":"5","key":"2024050606274131100_ref1","doi-asserted-by":"crossref","first-page":"1487","DOI":"10.1002\/chem.201905385","article-title":"Cyclic 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