Molecular dynamics dataset of Synaptotagmin-1
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https://zenodo.org/record/6908072
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资源简介：
This dataset contains all-atom molecular dynamics trajectories of synaptotagmin-1 C2A (calcium free). Each trajectory is 2 µs long and the total cumulated simulation time is 184 µs. Details, including the molecular dynamics setup, are given in Hempel, T.; Plattner, N.; Noé, F. Coupling of Conformational Switches in Calcium Sensor Unraveled with Local Markov Models and Transfer Entropy. J. Chem. Theory Comput. 2020, 16 (4), 2584–2593. https://doi.org/10.1021/acs.jctc.0c00043.
创建时间：
2022-07-28
