Non-bonding interaction energies of AEA binding poses 1_H7_HC, 1_H2/H3_HC and 2_HCd_H2/H3 calculated by using CHARMM36 force field [28], PM3 [37] and DFT M06-2X [38] methods.
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https://figshare.com/articles/dataset/Non-bonding_interaction_energies_of_AEA_binding_poses_1_H7_HC_1_H2_H3_HC_and_2_HC_sub_d_sub_H2_H3_calculated_by_using_CHARMM36_force_field_28_PM3_37_and_DFT_M06-2X_38_methods_/14867741
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Non-bonding interaction energies of AEA binding poses 1_H7_HC, 1_H2/H3_HC and 2_HCd_H2/H3 calculated by using CHARMM36 force field [28], PM3 [37] and DFT M06-2X [38] methods.
创建时间：
2021-06-28
