The docking energy between Al-CPI and various enzymes.
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a)E_RDock, the RDOCK score is defined as: E_elec2+beta×E_sol. E_elec2: the electrostatic energy of the protein complex after the first and second CHARMm minimizations. E_sol: the desolvation energy of the protein complex calculated by the ACE method.
创建时间：
2015-12-02
