酶催化过程的全程模拟

赵媛,曹泽星

Global Simulations of Enzymatic Catalysis

Yuan ZHAO,Ze-Xing CAO

图3 (a)连接原子法；(b)边界原子法；(c)定域轨道法

Fig 3 (a) Link-atom scheme; (b) boundary-atom scheme; (c) localized-orbital scheme