Inhibition of Mycobacterium-RmlA by Molecular Modeling, Dynamics Simulation, and Docking

<div>(a) Graphical representation of RMSD of back bone carbons from starting structure of Mtb-RmlA as a function of time. (b) The potential energy curve of the system during the MD simulation for Mtb-RmlA. (c) RMS fluctuations for the total protein of Mtb-RmlA.</div>

Advances in Bioinformatics

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Figure 3

Figure 3: Inhibition of Mycobacterium-RmlA by Molecular Modeling, Dynamics Simulation, and Docking 