Interaction and Binding Kinetics of Different Substituted Pyrazines with HSA: Based on Multispectral, Physiological Activity, and Molecular Dynamics Simulations

Figure 12

MD simulation of different pyrazine and HSA interactions: (a) RMSD variation diagram of free HSA and complex, (b) RMSF variation diagram of free HSA and complex, (c) variation diagram of free HSA and complex, and (d) SASA variation diagram of free HSA and complex.

(a)

(b)

(c)

(d)