Coarse-grained MD simulation data of Tau321-391 and Tau326-391 using SIRAH 2.0 force field
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The dataset contains the MD simulation data associated with the article: "Gradual N-terminal truncation of tau dGAE (297-391) reveals the importance of 321-325 sequence for early steps of fibril formation" (not published yet) Trajectories were produced using SIRAH 2.0 force field with reparametrization of water-protein interactions according to Martins et al. (https://doi.org/10.1021/acs.jcim.4c00965). Initial conformers were generated by AlphaFold 2.
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Zenodo创建时间：
2026-01-19
