Investigations on Binding Pattern of Kinase Inhibitors with PPAR<i>γ</i>: Molecular Docking, Molecular Dynamic Simulations, and Free Energy Calculation Studies

<div>Molecular dynamics simulation of PPAR<i>γ</i>-ligand complexes. (a) RMSD of human PPAR<i>γ</i> backbone structure docked with KIs and cocrystalized compounds rosiglitazone in 25 ns simulation. (b) SASA of human PPAR<i>γ</i>-KI and of human PPAR<i>γ</i>-rosiglitazone complexes in 25 ns simulation.</div>

PPAR Research

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Figure 4

Figure 4: Investigations on Binding Pattern of Kinase Inhibitors with PPAR<i>γ</i>: Molecular Docking, Molecular Dynamic Simulations, and Free Energy Calculation Studies 

Figure 4 | Investigations on Binding Pattern of Kinase Inhibitors with PPARγ: Molecular Docking, Molecular Dynamic Simulations, and Free Energy Calculation Studies 