Lam C F, Schatz N
J Biochem. 1978 Sep;84(3):585-95. doi: 10.1093/oxfordjournals.jbchem.a132163.
A computer algorithm is presented to derive initial velocity rate equation for general enzyme raction mechanisms, including sequential as well as complicated random mechanisms. The method is based on the theory of graph and the theory of prime number. In complicated mechanisms, there are many pathways and hence many cycles. The values of the rate constants are constrained according to the principle of detailed balance: the product of rate constants in the clockwise direction of a cycle must equal to the product of the rate constants in the counter-clockwise direction of the same cycle. An algorithm is presented to derive the appropriate constraint equations. These constraint equations are arranged so that when the rate equation is used for estimating rate constants, the resulting rate constants would satisfy the principle of detailed balance automatically.
本文提出了一种计算机算法，用于推导一般酶反应机制的初始速度速率方程，包括顺序反应机制以及复杂的随机机制。该方法基于图论和质数理论。在复杂机制中，存在许多途径，因此也有许多循环。速率常数的值根据详细平衡原理进行约束：循环顺时针方向的速率常数乘积必须等于同一循环逆时针方向的速率常数乘积。本文提出了一种算法来推导适当的约束方程。这些约束方程的排列方式使得当速率方程用于估计速率常数时，所得的速率常数将自动满足详细平衡原理。
