首页> 美国卫生研究院文献>International Journal of Molecular Sciences >Computational Methods for Modeling Aptamers and Designing Riboswitches
【2h】

Computational Methods for Modeling Aptamers and Designing Riboswitches

机译:适体建模和核糖开关设计的计算方法

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

Riboswitches, which are located within certain noncoding RNA region perform functions as genetic “switches”, regulating when and where genes are expressed in response to certain ligands. Understanding the numerous functions of riboswitches requires computation models to predict structures and structural changes of the aptamer domains. Although aptamers often form a complex structure, computational approaches, such as RNAComposer and Rosetta, have already been applied to model the tertiary (three-dimensional (3D)) structure for several aptamers. As structural changes in aptamers must be achieved within the certain time window for effective regulation, kinetics is another key point for understanding aptamer function in riboswitch-mediated gene regulation. The coarse-grained self-organized polymer (SOP) model using Langevin dynamics simulation has been successfully developed to investigate folding kinetics of aptamers, while their co-transcriptional folding kinetics can be modeled by the helix-based computational method and BarMap approach. Based on the known aptamers, the web server Riboswitch Calculator and other theoretical methods provide a new tool to design synthetic riboswitches. This review will represent an overview of these computational methods for modeling structure and kinetics of riboswitch aptamers and for designing riboswitches.
机译:位于某些非编码RNA区域内的核糖开关起着遗传“开关”的作用,调节基因响应特定配体的时间和位置。了解核糖开关的众多功能需要计算模型来预测适体结构域的结构和结构变化。尽管适体通常形成复杂的结构,但是诸如RNAComposer和Rosetta之类的计算方法已被用于为多个适体的三级(三维(3D))结构建模。由于必须在一定时间范围内实现适体的结构变化以进行有效调节,因此动力学是理解适体在核糖开关介导的基因调控中的另一个关键点。已经成功开发了使用Langevin动力学模拟的粗粒自组织聚合物(SOP)模型,以研究适体的折叠动力学,而它们的共转录折叠动力学可以通过基于螺旋的计算方法和BarMap方法建模。基于已知的适体,Web服务器Riboswitch Calculator和其他理论方法提供了一种设计合成核糖开关的新工具。这篇综述将代表这些计算方法的概述,这些计算方法可用于建模核糖开关适体的结构和动力学,以及用于设计核糖开关。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号