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. 2022 Oct 25;9(11):612. doi: 10.3390/bioengineering9110612

Table 7.

Dynamic simulations of TBI biomarkers showing specific trends for possible use in TBI prediction [140,141,142,143,144,145,146,147,148,149,150,151].

Biomarker Homology
Figures
MD Simulations Figures Metabolic pathway BBB Bond Energy
kcal/mol
No. of H Bonds Length of Amino Acid
S100B 1.6 16, 26 - 6900 167 92
GFAP 1.1 18, 28 4.2.1 82,245 873 432
UCHL1 1.2 19, 29 4.2.4 18,957 336 223
NF-L 1.4 - 4.2.2 -
Tau 1.5 20, 30 4.2.3 23,856–24,239 456–462 397