Extended data 2: Structural and Functional Impact of the G340S Mutation in Plasmodium falciparum Ferredoxin NADP⁺ Reductase: In silico Analysis and Molecular Docking.

The deposit includes the starting structural models, the FAD-bound receptor models, the MD files, topology files, simulation analysis scripts, docking input and configuration files, receptor and ligand PDBQT files, docking output logs, and HADDOCK submission and some downstream analysis files.本存档数据集包含初始结构模型、结合黄素腺嘌呤二核苷酸（Flavin Adenine Dinucleotide, FAD）的受体模型、分子动力学（Molecular Dynamics, MD）文件、拓扑文件、模拟分析脚本、对接输入与配置文件、受体与配体PDBQT格式文件、对接输出日志，以及HADDOCK提交文件与部分下游分析文件。