Institute of Bioorganic Chemistry, Polish Academy of Sciences, Poznan, Poland.
Institute of Computing Science, Poznan University of Technology, Poznan, Poland.
Proteins. 2023 Dec;91(12):1790-1799. doi: 10.1002/prot.26578. Epub 2023 Aug 24.
As CASP15 participants, in the new category of 3D RNA structure prediction, we applied expert modeling with the support of our proprietary system RNAComposer. Although RNAComposer is primarily known as an automated web server, its features allow it to be used interactively, for example, for homology-based modeling or assembling models from user-provided structural elements. In the paper, we present various scenarios of applying the system to predict the 3D RNA structures that we employed. Their combination with expert input, comparative analysis of models, and routines to select representative resultant structures form a ready-for-reuse workflow. With selected examples, we demonstrate its application for the in silico modeling of natural and synthetic RNA molecules targeted in CASP15.
作为 CASP15 参与者,在 3D RNA 结构预测的新类别中,我们应用了专家建模,并得到了我们专有的 RNAComposer 系统的支持。虽然 RNAComposer 主要作为一个自动化的网络服务器而闻名,但它的功能允许它被交互使用,例如,用于基于同源性的建模或组装用户提供的结构元素的模型。在本文中,我们介绍了应用该系统预测我们所采用的 3D RNA 结构的各种场景。它们与专家输入的结合、模型的比较分析以及选择代表性结果结构的例程形成了一个可重复使用的工作流程。通过选择的例子,我们展示了它在 CASP15 中针对天然和合成 RNA 分子的计算机建模中的应用。