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. |
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| 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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