Molecular dynamics of protein folding

被引：6

作者：

Frenkel, ZM ^{[1
]}

Melker, AI ^{[1
]}

机构：

[1] St Petersburg State Univ, Dept Met Phys & Comp Technol, St Petersburg 195251, Russia

来源：

SIXTH INTERNATIONAL WORKSHOP ON NONDESTRUCTIVE TESTING AND COMPUTER SIMULATIONS IN SCIENCE AND ENGINEERING | 2003年 / 5127卷

关键词：

computer simulation; folding; molecular dynamics; protein;

D O I：

10.1117/12.517941

中图分类号：

O3 [力学];

学科分类号：

08 ; 0801 ;

摘要：

In this contribution, we report on a study of the self-organization of polypeptides. The process is computer simulated by the method of molecular dynamics. In a previous work(1) we reported about three types of self-organization observed in our calculations: stable and unstable globule and 'intermediate' globule. To each type of self-organization corresponds a special type of temperature-time dependence. A new set of self-organization simulations with calculation of drift and vibrational components of atom velocities has provided us an explanation of the obtained results.

引用

页码：63 / 75

页数：13

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