{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,12]],"date-time":"2026-03-12T00:24:17Z","timestamp":1773275057483,"version":"3.50.1"},"reference-count":46,"publisher":"Oxford University Press (OUP)","issue":"5","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2008,3,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Motivation: After 10-year investigations, the folding mechanisms of \u03b2-hairpins are still under debate. Experiments strongly support zip-out pathway, while most simulations prefer the hydrophobic collapse model (including middle-out and zip-in pathways). In this article, we show that all pathways can occur during the folding of \u03b2-hairpins but with different probabilities. The zip-out pathway is the most probable one. This is in agreement with the experimental results. We came to our conclusions by 38 100-ns room-temperature all-atom molecular dynamics simulations of the \u03b2-hairpin trpzip2. Our results may help to clarify the inconsistencies in the current pictures of \u03b2-hairpin folding mechanisms.<\/jats:p>\n               <jats:p>Contact: \u00a0yxiao@mail.hust.edu.cn<\/jats:p>\n               <jats:p>Supplementary information: Supplementary data are available at Bioinformatics online.<\/jats:p>","DOI":"10.1093\/bioinformatics\/btn029","type":"journal-article","created":{"date-parts":[[2008,1,24]],"date-time":"2008-01-24T01:26:08Z","timestamp":1201137968000},"page":"659-665","source":"Crossref","is-referenced-by-count":35,"title":["Observation of multiple folding pathways of <i>\u03b2<\/i>-hairpin trpzip2 from independent continuous folding trajectories"],"prefix":"10.1093","volume":"24","author":[{"given":"Changjun","family":"Chen","sequence":"first","affiliation":[{"name":"Biomolecular Physics and Modeling Group, Department of Physics, Huazhong University of Science and Technology, Wuhan 430074, Hubei, China"}]},{"given":"Yi","family":"Xiao","sequence":"additional","affiliation":[{"name":"Biomolecular Physics and Modeling Group, Department of Physics, Huazhong University of Science and Technology, Wuhan 430074, Hubei, China"}]}],"member":"286","published-online":{"date-parts":[[2008,1,23]]},"reference":[{"key":"2023020210121478400_B1","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1006\/jmbi.1999.3446","article-title":"\u03b2-Hairpin stability and folding: molecular dynamics studies of the first \u03b2-hairpin of tendamistat","volume":"296","author":"Alexandre","year":"2000","journal-title":"J. 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