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Microsecond-long molecular dynamics trajectory of an aggregate of elastin-like peptides in water

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Figshare2017-11-01 更新2026-04-08 收录
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This binary file is provided as supplementary material for a research article on the structure and self-assembly of elastin-like peptides (1). It was generated by the molecular dynamics program GROMACS, version 4.6 (2). It contains the last microsecond of a 5-microsecond molecular dynamics trajectory of 27 (GVPGV)<sub>7</sub> peptides in water. See ref. 1 for details.(1) S. Rauscher and R. Pomès. The liquid structure of elastin. eLife, in press (2017). DOI: 10.7554/eLife.26526(2) Hess, B., Kutzner, C., van der Spoel, D. &amp; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation. <i>J. Chem. Theory Comput.</i> <b>4,</b> 435–447 (2008). DOI: 10.1021/ct700301q
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2017-11-01
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