通过矩阵运算计算生化净反应和途径。
Calculation of biochemical net reactions and pathways by using matrix operations.
作者信息
Alberty R A
机构信息
Department of Chemistry, Massachusetts Institute of Technology, Cambridge 02139 USA.
出版信息
Biophys J. 1996 Jul;71(1):507-15. doi: 10.1016/S0006-3495(96)79252-4.
Pathways for net biochemical reactions can be calculated by using a computer program that solves systems of linear equations. The coefficients in the linear equations are the stoichiometric numbers in the biochemical equations for the system. The solution of the system of linear equations is a vector of the stoichiometric numbers of the reactions in the pathway for the net reaction; this is referred to as the pathway vector. The pathway vector gives the number of times the various reactions have to occur to produce the desired net reaction. Net reactions may involve unknown numbers of ATP, ADP, and Pi molecules. The numbers of ATP, ADP, and Pi in a desired net reaction can be calculated in a two-step process. In the first step, the pathway is calculated by solving the system of linear equations for an abbreviated stoichiometric number matrix without ATP, ADP, Pi, NADred, and NADox. In the second step, the stoichiometric numbers in the desired net reaction, which includes ATP, ADP, Pi, NADred, and NADox, are obtained by multiplying the full stoichiometric number matrix by the calculated pathway vector.
净生化反应的途径可以通过使用求解线性方程组的计算机程序来计算。线性方程中的系数是该系统生化方程中的化学计量数。线性方程组的解是净反应途径中反应化学计量数的向量；这被称为途径向量。途径向量给出了各种反应为产生所需净反应必须发生的次数。净反应可能涉及数量未知的ATP、ADP和Pi分子。所需净反应中ATP、ADP和Pi的数量可以通过两步计算得出。第一步，通过求解不包含ATP、ADP、Pi、NADred和NADox的简化化学计量数矩阵的线性方程组来计算途径。第二步，通过将完整的化学计量数矩阵乘以计算出的途径向量，得到所需净反应中的化学计量数，该净反应包括ATP、ADP、Pi、NADred和NADox。
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