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A discard-and-restart MD algorithm for the sampling of protein intermediate states.

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Title: A discard-and-restart MD algorithm for the sampling of protein intermediate states.
Authors: Ianeselli A; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut., Howard J; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut., Gerstein MB; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut; Program in Computational Biology and Bioinformatics, Yale University, New Haven, Connecticut; Department of Computer Science, Yale University, New Haven, Connecticut; Department of Statistics and Data Science, Yale University, New Haven, Connecticut; Department of Biomedical Informatics & Data Science, Yale University, New Haven, Connecticut. Electronic address: mark@gersteinlab.org.
Source: Biophysical journal [Biophys J] 2025 Nov 18; Vol. 124 (22), pp. 3895-3907. Date of Electronic Publication: 2025 Mar 28.
Publication Type: Journal Article
Journal Info: Publisher: Cell Press Country of Publication: United States NLM ID: 0370626 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1542-0086 (Electronic) Linking ISSN: 00063495 NLM ISO Abbreviation: Biophys J Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Ianeselli+A%22">Ianeselli A</searchLink>; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut.<br /><searchLink fieldCode="AU" term="%22Howard+J%22">Howard J</searchLink>; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut.<br /><searchLink fieldCode="AU" term="%22Gerstein+MB%22">Gerstein MB</searchLink>; Department of Molecular Biophysics and Biochemistry, Yale University, New Haven, Connecticut; Program in Computational Biology and Bioinformatics, Yale University, New Haven, Connecticut; Department of Computer Science, Yale University, New Haven, Connecticut; Department of Statistics and Data Science, Yale University, New Haven, Connecticut; Department of Biomedical Informatics & Data Science, Yale University, New Haven, Connecticut. Electronic address: mark@gersteinlab.org.
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  Data: <searchLink fieldCode="JN" term="%220370626%22">Biophysical journal</searchLink> [Biophys J] 2025 Nov 18; Vol. 124 (22), pp. 3895-3907. <i>Date of Electronic Publication: </i>2025 Mar 28.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Cell+Press%22">Cell Press </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>0370626 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1542-0086 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2200063495%22">00063495 </searchLink><i>NLM ISO Abbreviation: </i>Biophys J <i>Subsets: </i>MEDLINE
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        Value: 10.1016/j.bpj.2025.03.024
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              Text: 2025 Nov 18
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