PPARG is a potential target of Tanshinone IIA in prostate cancer treatment: a combination study of molecular docking and dynamic simulation based on transcriptomic bioinformatics

Table 1 Binding-free energies and energy components predicted by MM/GBSA (kcal/mol)

ΔEvdW van der Waals energy, ΔEelec electrostatic energy, ΔGGB electrostatic contribution to solvation, ΔGSA non-polar contribution to solvation, ΔGbind binding-free energy

ISSN: 2047-783X