Molecular dynamics of small peptides using ergodic trajectories

被引：0

作者：

Shaitan, KV ^{[1
]}

Tereshkina, KB ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Moscow 119992, Russia

来源：

BIOINFORMATICS OF GENOME REGULATION AND STRUCTURE II | 2006年

关键词：

molecular dynamics; thermostats; peptides; ergodicity; attractors;

D O I：

10.1007/0-387-29455-4_27

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

A comparative study of the molecular dynamics of natural amino acid residues and some of their homologs and isomers is carried out. MD protocols not interfering with a principle of equidistribution of energy on degrees of freedom are used. Poincare cross-sections are considered. Dynamic properties of conformational degrees of freedom in series amino acid residues are classified.

引用

页码：271 / 284

页数：14