Research Article
In Silico Identification of Potent PPAR- Agonists from Traditional Chinese Medicine: A Bioactivity Prediction, Virtual Screening, and Molecular Dynamics Study
Table 2
H-bond occupancy for key residues of PPAR- protein with top three candidates and T2384 overall 40 ns molecular dynamics simulation.
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H-bond occupancy cutoff: 0.3 nm. |