Journal: Heliyon
Article Title: Prediction of an immunogenic peptide ensemble and multi-subunit vaccine for Visceral leishmaniasis using bioinformatics approaches
doi: 10.1016/j.heliyon.2023.e22121
Figure Lengend Snippet: Molecular Docking and Molecular Dynamic Simulation. (A) Molecular Docking of proposed vaccine construct VaCo4_Model_2ref (red) and TLR (green, cyan, yellow and magenta). Inset image depicts interaction of TLR chains A&C (MD2) (green and magenta) and N -terminal region of proposed vaccine construct. Few random residues from position 1–113 and C-terminal have been labeled in vaccine construct to ease visualization. (B) MD Simulation of VaCo4-TLR4 complex indicated through temperature, pressure, RMSF and RMSD plots respectively. RMSD plot shows protein stability. RMSF plot indicates great variation indicating flexible protein. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)
Article Snippet: In this study, TLR4 agonist RS09, which is a lipopolysaccharide (LPS)-mimotope, was selected [ ].
Techniques: Construct, Labeling