Score combining binding energy and permeability.
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* ΔGb are energy values in kcal/mol using the MM/GBSA method (Table 3). † S+Peff is the human jejunal effective permeability expressed in 104 cm/s. ‡ The score is calculated based on a function combining the effect of binding energy and permeability. § IC50 is the average IC50 in nM for the breast cancer cell lines (Table 1). Score combining binding energy and permeability.
创建时间：
2015-06-08
