QM/MM MD simulations of the ES complexes of SARS-CoV-2 main protease and oligopeptide substrates
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资源简介：
qmdcd.7z : QM/MM MD trajectories for all considered systems in dcd format for QM parts without link atoms (QMpart_nolink.pdb) frames.7z : QM parts of the MD frames selected for the electron density analysis.
创建时间：
2020-06-26
