Opportunities and Challenges in RNA Structural Modeling and Design.
Opportunities and Challenges in RNA Structural Modeling and Design.
复制标题
DOI：
10.1016/j.bpj.2016.12.037
复制
发表时间：
2017-07
影响因子：
3.4
通讯作者：
T. Schlick;A. Pyle
中科院分区：
文献类型：
--
作者：
T. Schlick;A. Pyle
我们描述了 RNA 结构建模和设计中的机遇和挑战，正如最近在 2016 年 6 月组织的第二届特柳赖德科学研究中心研讨会上所讨论的那样。主题包括 RNA 的基本过程，例如结构组装（层次折叠、多种构象状态及其聚类）、RNA 基序和 RNA 的化学反应性，用于结构预测和功能推理。我们还强调了与 RNA 结构相关的软件和数据库问题，例如基序注释的多种方法、频繁更新数据库的需要以及 RNA 结构质量控制的重要性。我们讨论了结构预测、RNA 反应机制分析和 RNA 设计的各种建模方法，以及原子方法和粗粒度方法在此类模拟中发挥的互补作用。总的来说，随着来自不同学科的科学家逐渐熟悉并陷入这些独特的挑战，新的方法和协作努力无疑将得到促进。
We describe opportunities and challenges in RNA structural modeling and design, as recently discussed during the second Telluride Science Research Center workshop organized in June 2016. Topics include fundamental processes of RNA, such as structural assemblies (hierarchical folding, multiple conformational states and their clustering), RNA motifs, and chemical reactivity of RNA, as used for structural prediction and functional inference. We also highlight the software and database issues associated with RNA structures, such as the multiple approaches for motif annotation, the need for frequent database updating, and the importance of quality control of RNA structures. We discuss various modeling approaches for structure prediction, mechanistic analysis of RNA reactions, and RNA design, and the complementary roles that both atomistic and coarse-grained approaches play in such simulations. Collectively, as scientists from varied disciplines become familiar and drawn into these unique challenges, new approaches and collaborative efforts will undoubtedly be catalyzed.