Interpreting correlated motions using normal mode analysis.
Interpreting correlated motions using normal mode analysis.
复制标题
使用正则模式分析解释相关运动。
DOI：
10.1016/j.str.2006.09.003
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发表时间：
2006
期刊：
影响因子：
--
通讯作者：
Cui,Qiang
中科院分区：
文献类型：
--
作者：
VanWynsberghe,AdamW;Cui,Qiang
With the increased popularity of normal mode analyses in structural biology, it is important to carefully consider how to best utilize the results for gaining biological insights without over interpretation. The discussion in this article argues that for the purpose of identifying correlated motions in biomolecules, a case separate from concomitant conformational changes of structural motifs, it is generally important to use a large number of normal modes. This is illustrated through three increasingly complex examples. The simplest case includes two bilinearly coupled harmonic oscillators and serves as a straightforward problem where the important considerations are explicit and transparent. The argument is then generalized to include a system ofN-coupled harmonic oscillators and finally to a realistic biomolecule. Although a small number of normal modes are useful for probing structural flexibility, it is clear that a much larger number of modes are required for properly investigating correlated motions in biomolecules.
