Comparison of calculated Binding free energies for COX-2 selective drugs with known experimental data.
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https://figshare.com/articles/dataset/_Comparison_of_calculated_Binding_free_energies_for_COX_2_selective_drugs_with_known_experimental_data_/954345
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资源简介：
aΔGEle = ΔEelectrostatic + ΔGpolar.
bΔGexp = −RTln(IC50).
创建时间：
2014-03-06
