Non-native entanglement protein misfolding observed in all-atom simulations and supported by experimental structural ensembles.

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Title: Non-native entanglement protein misfolding observed in all-atom simulations and supported by experimental structural ensembles.
Authors: Vu QV; Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02-668 Warsaw, Poland.; Department of Chemistry, Pennsylvania State University, University Park, PA 16802, USA., Sitarik I; Department of Chemistry, Pennsylvania State University, University Park, PA 16802, USA., Jiang Y; Department of Chemistry, Pennsylvania State University, University Park, PA 16802, USA., Xia Y; Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218, USA., Sharma P; Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218, USA., Yadav D; Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218, USA., Song H; Bioinformatics and Genomics Graduate Program, The Huck Institutes of the Life Sciences, Pennsylvania State University, University Park, PA 16802, USA.; Department of Statistics, Pennsylvania State University, University Park, PA 16802, USA., Li MS; Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02-668 Warsaw, Poland.; Institute for Computational Sciences and Technology, Quang Trung Software City, Tan Chanh Hiep Ward, District 12, Ho Chi Minh City, Vietnam., Fried SD; Department of Chemistry, Johns Hopkins University, Baltimore, MD 21218, USA.; T. C. Jenkins Department of Biophysics, Johns Hopkins University, Baltimore, MD 21218, USA., O'Brien EP; Department of Chemistry, Pennsylvania State University, University Park, PA 16802, USA.; Bioinformatics and Genomics Graduate Program, The Huck Institutes of the Life Sciences, Pennsylvania State University, University Park, PA 16802, USA.; Institute for Computational and Data Sciences, Pennsylvania State University, University Park, PA 16802, USA.
Source: Science advances [Sci Adv] 2025 Aug 08; Vol. 11 (32), pp. eadt8974. Date of Electronic Publication: 2025 Aug 08.
Publication Type: Journal Article
Journal Info: Publisher: American Association for the Advancement of Science Country of Publication: United States NLM ID: 101653440 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2375-2548 (Electronic) Linking ISSN: 23752548 NLM ISO Abbreviation: Sci Adv Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:2375-2548
DOI:10.1126/sciadv.adt8974