Skip to main content

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.
Back to article page

BMC Bioinformatics

ISSN: 1471-2105

Contact us