The computed binding energy values (ΔEbinding) for the molecular docking study for the binding of myricetin, quercetin, chrysin or flavone with human COX I or COX II.
收藏Figshare2015-12-02 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_The_computed_binding_energy_values_E_binding_for_the_molecular_docking_study_for_the_binding_of_myricetin_quercetin_chrysin_or_flavone_with_human_COX_I_or_COX_II_/505299
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The ligand-enzyme interaction energy value (ΔEbinding) was calculated using the following equation: ΔEbinding = Ecomplex−(ECOX+Eligand), where Ecomplex was the potential energy for the complex of COX bound with the ligand, ECOX was the potential energy of the enzyme alone, and Eligand was the potential energy for the ligand alone.
创建时间:
2015-12-02



