Hydrogen bonding results when a hydrogen atom attached to a highly electronegative atom is attracted by another electronegative atom [85]. In a biological system, these hydrogen bonds are vital in determining specificity and directionality fundamental in molecular recognition [86]. The patterns of hydrogen bonds for both complexes were illustrated in each frame within 3 Å in order to probe the strength of intermolecular association across the simulation period. The maximum number of hydrogen bonds of MEPVC with TLR3 and TLR4 are 11 and 12, respectively demonstrating the high strength of interactions. The number of hydrogen bonds for both complexes are shown in Figure 13 .
Fig. 13 The number of hydrogen bonds formed during simulation between MEPVC and TLR3 and TLR4 receptors.