肽酰转移酶

本文运用一系列的理论化学方法研究了肽酰转移酶催化肽键形成的机理。

In this work , a series of theoretical methods were employed to investigate the reaction mechanisms of ribosomal peptide bond formation catalyzed by peptidyl transferase .

第四章中我们运用了量子化学从头算和分子动力学模拟的方法研究了肽酰转移酶催化的其它反应途径。

In the last chapter , molecular dynamics simulations and quantum mechanical were performed to study the other possible mechanism of ribosomal peptide bond formation catalyzed by peptidyl transferase .

第二章中我们运用量子化学从头算的方法研究了由肽酰转移酶催化肽键形成的模型反应，并估算了各个反应的自由能垒。

For the studies described in the second chapter , reaction pathways and free energy barriers for the model reaction of the peptide bond synthesis were studied by performing Ab initio calculation .

全文由四章组成：（1）理论基础和计算方法（2）肽酰转移酶催化机理的理论研究；

The thesis consists of three chapters , including ( 1 ) basic theory and computational methods . ( 1 ) Theoretical study on mechanism of ribosomal peptide bond formation catalyzed by peptidyl transferase .