Interaction comparison between systems 3 and 5 during molecular dynamic simulation System Early simulation (t = 0 ns) Middle simulation (t = 12.5 ns) End simulation (t = 25 ns).

Interaction comparison between systems 3 and 5 during molecular dynamic simulation System Early simulation (t = 0 ns) Middle simulation (t = 12.5 ns) End simulation (t = 25 ns).分子动力学模拟中3号与5号体系的相互作用对比，涉及三个模拟阶段：初始模拟（t=0纳秒）、中期模拟（t=12.5纳秒）及终期模拟（t=25纳秒）。