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. 2019 Aug 27;9(46):26757–26767. doi: 10.1039/c9ra04481g

Molecular docking results (ordered by increasing binding energy).

Number Binding energy (kcal mol−1) Number Binding energy (kcal mol−1)
C-8 −11 A-9 −8.7
C-1 −10.9 B-2 −8.7
A-4 −10.5 B-4 −8.7
D-1 −10.5 B-9 −8.7
A-1 −10.4 C-14 −8.7
C-4 −10.4 B-6 −8.5
D-4 −10.4 B-10 −8.4
A-6 −10.2 C-11 −8.4
B-8 −10.1 A-8 −8.3
C-9 −10.1 C-3 −8.3
D-6 −10 D-8 −8.3
C-5 −9.6 A-11 −8.1
B-7 −9.5 B-5 −8.1
A-5 −9.4 D-11 −8
C-7 −9.4 D-12 −7.9
B-1 −9.3 A-10 −7.8
D-5 −9.3 B-3 −7.8
D-7 −9.2 B-14 −7.8
D-9 −9.2 D-10 −7.8
A-7 −9.1 B-11 −7.7
C-6 −9.1 A-12 −7.6
D-2 −9.1 C-12 −7.5
D-14 −9.1 C-10 −7.2
A-2 −8.9 B-12 −7
A-3 −8.9 C-13 −6.8
A-14 −8.9 D-13 −6.5
C-2 −8.8 A-13 −6.3
D-3 −8.8 B-13 −5.7