TABLE 1
Binding energy results for docking 1 in the CCD dimer
Conformation
Binding Energy
Cavity Selected
kcal/mol
1
−5.30
Magenta
2
−4.34
Magenta
3
−3.81
Magenta
4
−3.25
Magenta
5
−2.69
Magenta
6
−2.69
Magenta/orange
7
−2.64
Magenta
8
−2.09
Magenta/orange
9
−1.49
Magenta
10
−1.42
Magenta