Dataset for MD and QM study of NarK nitrate/nitrite exchanger
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资源简介：
MM_SMD_nark.tgz: input files, output files (less dcd files), and scripts of analysis for the MD simulations, PCA analyses, HOLE calculations. QM_nark.tgz: input and output files for QM model computations 2023_additional_smd.tgz: addition SMD calculations input files, output files (less dcd files). add_data_plot.tgz: new plots with data from additional SMD simulations
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Zenodo创建时间：
2023-06-28
