Table 5 The calculation of Gibbs free energy for TLR3 vaccine.

From: Development of a candidate mRNA vaccine based on Multi-Peptide targeting VP4 of rotavirus A: an immunoinformatics and molecular dynamics approach

Energy components (kcal/mol)

TLR3-vaccine complex

Binding free energy

−89.77

Van der Wall energy

−153.55

Electrostatic energy

−1943.91

Electrostatic solvation energy

2025.66

Non-electrostatic solvation energy

−17.97

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