Skip to main content
. 2022 Oct 25;9(11):612. doi: 10.3390/bioengineering9110612

Table 4.

The times at which each energy (electrostatic, bond, kinetic, potential, and total energies) reached equilibrium, and the average energy values during equilibrium for each biomarker.

Electrostatic Bond Kinetic Potential Total
Aβ42 Time (ps) 2.7 4 2.9 1.9 2.8
Avg. Value (kcal/mol) −32,784.33 3480.92 7455.66 −23,434.85 −15,997.53
CRP Time (ps) 2.2 3.2 3 2.4 2.6
Avg. Value (kcal/mol) −1,019,308.27 109,340.86 232,063.93 −723,307.82 −491,584.45
GFAP Time (ps) 1 3.3 3.1 2.8 2.9
Avg. Value (kcal/mol) −823,609.83 82,245.14 173,754.06 −605,439.31 −431,757.93
IL-6 Time (ps) 2.9 3.8 3.6 2.1 3.3
Avg. Value (kcal/mol) −64,264.60 6949.12 14,990.33 −45,343.51 −30,407.70
NSE Time (ps) 2.9 3.7 3.2 1.9 2.5
Avg. Value (kcal/mol) −241,850.97 26,823.98 57,205.73 −168,420.32 −111,428.98
PHF Tau Time (ps) 3.2 3.8 2.7 1.9 2.1
Avg. Value (kcal/mol) −213,881.08 24,239.10 51,936.30 −146,812.80 −95,005.53
S100B Time (ps) 4 3.5 2 0.7 1.4
Avg. Value (kcal/mol) −65,958.61 6900.85 14,928.18 −46,223.02 −31,437.77
SF Tau Time (ps) 1.6 3.4 2.7 2.6 2.6
Avg. Value (kcal/mol) −209,627.89 23,856.03 51,337.40 −144,155.15 −92,829.63
UCH-L1 Time (ps) 1.8 3.2 2.9 2.4 2.7
Avg. Value (kcal/mol) −175,430.48 18,957.84 40,291.56 −123,831.34 −83,573.74