Research Article
Investigations on Binding Pattern of Kinase Inhibitors with PPARγ: Molecular Docking, Molecular Dynamic Simulations, and Free Energy Calculation Studies
Table 4
Calculated entropy contributions by quasi-harmonic approximation for PPAR gamma-TKI’s and PPAR gamma-rosiglitazone complexes by MM-GBSA.
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Entropy contribution () is determined by quasi-harmonic approximation. ; = translational entropy contribution; = rotational entropy contribution; = vibrational entropy contribution. |