Fig. 7
From: In-silico design of an immunoinformatics based multi-epitope vaccine against Leishmania donovani
The stability and binding of TLR-4 with the vaccine accessed through MD simulations. a The RMSD of TLR-4 bound to the vaccine (Red) and TLR-4 alone (black) indicating improved structural stability upon binding. b The number of hydrogen bonds (sky blue) and the overall contacts (royal blue) between the TLR-4 and vaccine remains high and consistent during MD run. c The contributions of Van der Waal (black), Electrical (green), Poisson-Boltzmann (PB)/Generalized Born (GB) (Yellow) and SASA (blue) on the total binding energy (Red) of TLR-4 with the vaccine accessed by MM-GBSA and MM-PBSA approach