3QBH
structure based design, synthesis and sar of cyclic hydroxyethylamine (hea) bace-1 inhibitors
Total interactions analyzed 3
Total true interactions 2
Strongest Interaction Chains A-C
Int. Res. 104
Norm. En. per Res. -1.9122
Hub Node A(2)
Click on the Nodes or Edges in the network to see the details
Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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Chains Hydro. Bond Ener. (kJ/mol) Elec. Ener. (kJ/mol) VDW. Ener. (kJ/mol) Tot. Stab. Ener. (kJ/mol) #int. res. # Short cont. #Hydr. int. #VDW pairs #salt bridges #Pot. fav. elec. int #Pot. unfav. elec. int int. res.
A-B -10.8924 44.8323 -120.219 -86.279 62 3 1 5126 0 20 25
A-C -29.882 26.9324 -195.923 -198.8726 104 10 5 9158 4 26 22