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

<div>(a) Multiple sequence alignment of Mtb-RmlA and the templates 1H5T, 1H5R, 1H5S, and 1IIM. Dashes represent insertions and deletions. Highly conserved residues are represented in rectangular boxes. (b) The developed 3D model of Mtb-RmlA shown in cartoon representation with helices in cyan, sheets in magenta, and turns in wheat.</div>

Advances in Bioinformatics

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Figure 2

Figure 2: Inhibition of Mycobacterium-RmlA by Molecular Modeling, Dynamics Simulation, and Docking 