MD trajectories related to publication: PIP4K2C inhibition reverses autophagic flux arrest induced by SARS-Cov-2.

MD simulation raw data (PIP5K2C) related to publication: Karim, M., Mishra, M., Lo, CW. et al. PIP4K2C inhibition reverses autophagic flux impairment induced by SARS-CoV-2. Nat Commun 16, 6397 (2025). https://doi.org/10.1038/s41467-025-61759-1 Zipped tar archive (linux-tgz file) containing Desmond simulation trajectories of PIP4K2C in complex with RMC-113. Archive includes raw data of 10 replicas [2 us each] merged to single gromacs format xtc trajectory accompanied with topology cms-file. Files will be made accessible once the manuscript has been accepted.本数据集为与下述学术论文相关的分子动力学（Molecular Dynamics, MD）原始模拟数据（PIP5K2C）： Karim M、Mishra M、Lo CW 等人发表于《自然-通讯》（*Nature Communications*，缩写*Nat Commun*）2025年第16卷第6397条的论文《PIP4K2C抑制剂逆转严重急性呼吸综合征冠状病毒2型（SARS-CoV-2）诱导的自噬流损伤》，DOI: 10.1038/s41467-025-61759-1。 该数据集为Linux系统下的tgz压缩tar归档文件，包含PIP4K2C与RMC-113复合物的Desmond模拟轨迹。归档文件涵盖10组重复模拟（每组时长2微秒）的原始数据，已合并为单条GROMACS格式的XTC轨迹文件，并配套拓扑结构CMS文件。 本数据集将在稿件被录用后开放获取。