二面角
单体
分子动力学
化学
限制
聚合物
DNA
生物物理学
核糖
动力学(音乐)
功能(生物学)
蛋白质结构
分子
计算化学
生物化学
物理
氢键
工程类
生物
机械工程
有机化学
酶
进化生物学
声学
作者
Ilda D’Annessa,Andrea Coletta,Alessandro Desideri
出处
期刊:Biopolymers
[Wiley]
日期:2013-10-25
卷期号:101 (1): 78-86
被引量:9
摘要
Poly(ADP-ribosylation) is a post-transductional modification that regulates protein's function. Most of the proteins subjected to this control mechanism belong to machineries involved in DNA damage repair, or DNA interacting proteins. Poly(ADP-ribose) polymers are long chains of even 100 monomer length that can be branched at several positions but, not withstanding its importance, nothing is known concerning its structure. To understand, which are the geometrical parameters that confer to the polymer the structural constraints that determine its interaction with the target proteins, we have performed molecular dynamics of three chains of different length, made by 5, 25, and 30 units, the last one being branched. Analysis of the simulations allowed us to identify the main intra- and inter-monomer dihedral angles that govern the structure of the polymer that however, does not reach a unique definite conformation.
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