In depth analysis of ligand's solvation along each basins from 70 ns-long standard MD simulations.
收藏Figshare2015-12-02 更新2026-04-29 收录
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The average numbers of water surrounding DSM and CLZ are collected in the second and sixth columns, respectively, the values of fast, medium, and slow waters are expressed in percentage of the average numbers. To compare we reported the corresponding values for the two compounds inserted in a bulk water box extracted from a 15 ns-long standard MD simulation (third row).
创建时间：
2015-12-02
