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The mean value we calculate for the binding free energy of the complex T-p53C-Y220C-PhiKan083 (2VUK) is <ΔGbinding> = −29.42 kcal/mol (Standard deviation, STD = 2.05 kcal/mol). A) First modification of Phikan083. <ΔGbinding> = −29.80 kcal/mol (STD = 2.71 kcal/mol). B) Second modification of Phikan083. <ΔGbinding> = −35.33 kcal/mol (STD = 2.81 kcal/mol).
