Molecule Number

Binding energy  ( B. E ) ΔG in kcal/mol/Cluster Size

Ist Highest

IInd Highest

IIIrd Highest

B. E.

Number of Conformations

B. E.

 Number of Conformations

B. E.

 Number of Conformations
7 -13.71

27  

 -10.93

3

 -10.10

2
15 -14.79

11  

 -14.41

9

 -14.50

3
18 -16.05

7  

 -13.90

2

 -13.52

2
19 -14.66

31  

 -11.61

3

 -10.94

3
25 -16.62

21  

 -8.56

4

 -9.14

3
Table 6: Cluster (Number of Conformations) for Terpene Based Ligand Compounds with CDK2 (PDB Ref. 2BHH) Enzyme.