BioEmu outputs for RpoB structural analysis of rifampicin resistance-associated variants

This dataset contains complete BioEmu output folders generated for the wild-type RpoB protein structure and selected missense variants associated with rifampicin resistance. The deposited files include BioEmu sampling outputs, intermediate files, representative structure selection files, and trajectory-related outputs used to support the structural bioinformatics workflow available in the associated GitHub repository. The GitHub (https://github.com/Arthur-Reis-UFPA/RNAP-RFP-resistance-structural-analysis) repository contains protocols, analysis scripts, summary tables, and AutoDock Vina docking outputs, whereas this Zenodo record provides the complete BioEmu output files that were not included directly in GitHub due to storage considerations.本数据集包含为野生型RpoB蛋白质结构以及与利福平耐药性相关的选定错义变体生成的完整BioEmu输出文件夹。所提交的文件包含BioEmu采样输出文件、中间文件、代表性结构选择文件，以及用于支撑关联GitHub仓库中结构生物信息学工作流的轨迹相关输出。 该GitHub仓库（https://github.com/Arthur-Reis-UFPA/RNAP-RFP-resistance-structural-analysis）包含实验方案、分析脚本、汇总表格及AutoDock Vina对接输出文件；鉴于存储考量，本Zenodo数据集提供了未直接上传至GitHub的完整BioEmu输出文件。