Calculating enzyme kinetic parameters from protein structures.
Calculating enzyme kinetic parameters from protein structures.
复制标题
从蛋白质结构计算酶动力学参数。
DOI：
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发表时间：
2008
影响因子：
3.9
通讯作者：
R. Wade
中科院分区：
文献类型：
--
作者：
M. Stein;R. Gabdoulline;R. Wade
对于同一催化反应，不同种类和同工酶之间的酶动力学参数可能不同。从蛋白质的三维结构计算酶动力学参数的计算方法将在这里简要回顾。酶动力学参数可以通过建模和模拟速率决定过程得到。另一种近似但计算效率更高的方法是比较实验表征酶的分子相互作用场和应确定参数的分子相互作用场。相互作用场的差异与实验确定的动力学参数之间的相关性可用于确定来自其他物种的同源酶的参数。酶动力学参数的估计是建立系统生物学生化途径数学模型的重要步骤。
Enzyme kinetic parameters can differ between different species and isoenzymes for the same catalysed reaction. Computational approaches to calculate enzymatic kinetic parameters from the three-dimensional structures of proteins will be reviewed briefly here. Enzyme kinetic parameters may be derived by modelling and simulating the rate-determining process. An alternative, approximate, but more computationally efficient approach is the comparison of molecular interaction fields for experimentally characterized enzymes and those for which parameters should be determined. A correlation between differences in interaction fields and experimentally determined kinetic parameters can be used to determine parameters for orthologous enzymes from other species. The estimation of enzymatic kinetic parameters is an important step in setting up mathematical models of biochemical pathways in systems biology.
影响因子：
6.8
作者：
Gabdoulline, RR;Wade, RC
通讯作者：
Wade, RC