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Table 4 Binding free energy differences for the ABL:imatinib complex with CASA and GB/SA

From: Testing the Coulomb/Accessible Surface Area solvent model for protein stability, ligand binding, and protein design

mutation CASA GB-ACE GB-HCT
L17V 1.74 1.00 0.80
Y22F 0.30 0.23 0.10
V58A 6.50 1.23 1.10
F86L 0.46 0.75 2.50
F128V 5.99 5.46 7.10
  1. In kcal/mol.