Schlick Tamar, Pyle Anna Marie
Department of Chemistry, New York University, New York, New York; Courant Institute of Mathematical Sciences, New York University, New York, New York.
Department of Molecular and Cellular and Developmental Biology and Department of Chemistry, Yale University; Howard Hughes Medical Institute, New Haven, Connecticut.
Biophys J. 2017 Jul 25;113(2):225-234. doi: 10.1016/j.bpj.2016.12.037. Epub 2017 Feb 2.
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.
我们描述了RNA结构建模与设计中的机遇和挑战，这是在2016年6月组织的第二届特柳赖德科学研究中心研讨会上最近讨论的内容。主题包括RNA的基本过程，如结构组装（分层折叠、多种构象状态及其聚类）、RNA基序以及用于结构预测和功能推断的RNA化学反应性。我们还强调了与RNA结构相关的软件和数据库问题，如基序注释的多种方法、频繁更新数据库的必要性以及RNA结构质量控制的重要性。我们讨论了用于结构预测、RNA反应机理分析和RNA设计的各种建模方法，以及原子方法和粗粒度方法在这类模拟中所起的互补作用。总的来说，随着来自不同学科的科学家熟悉并投身于这些独特的挑战，新方法和合作努力无疑将被催生。
