In terms of the atom-bond electronegativity equilization fluctuating charge molecular mechanics (ABEEM/MM), molecular dynamics simulation on aqueous microperoxidases (MP) was performed.
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- 摘要应用原子-键电负性均衡浮动电荷分子力场(ABEEM/MM),对微过氧化物酶水溶液进行了分子动力学模拟。