Table 4.
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 |