Research data for the article "Charge of a Transmembrane Peptide Alters Its Interaction with Lipid Membranes" by Thakur et al. Colloids and Surfaces B: Biointerfaces, 2024

Research data for the publication Thakur, G.C.N., Uday, A., Cebecauer, M., Roos, W.H., Cwiklik, L., Hof, M., Jurkiewicz, P., and Melcrová, A. Charge of a Transmembrane Peptide Alters Its Interaction with Lipid Membranes. Colloids and Surfaces B: Biointerfaces, 2024. https://doi.org/10.1016/j.colsurfb.2024.113765 The data set contains experimental and simulation data on the study of transmembrane peptides WALP-KD and WALP-KK4+ and their interaction with model lipid membranes. Experimental and simulation details can be found in the Materials and Methods section of the mentioned article. The data set contains: Files starting with "Figure..." contain source data used for the generation of the figures in the mentioned article. Atomic Force Microscopy images are in the raw format as collected on JPK Nano Wizard Ultra Speed AFM. Force-indentation curves from the force measurements by JPK Nano Wizard Ultra Speed AFM in the *.txt format. These curves were used for the analysis of the mechanical properties of the membranes with and without the transmembrane peptides. Line profiles (cross-sections) over the height of the supported membranes and the surrounding support. Extracted from the height images measured on JPK Nano Wizard Ultra Speed AFM. Molecular Dynamic simulation data - configuration files, trajectories, density profiles of chosen parts of the membrane alongside the membrane axis. These files are in respective directories for all simulated systems: POPC 100%, POPC/POPS 80/20 mol%, and both with the addition of 3 mol% peptide WALP-KD or WALP-KK4+.本数据集配套发表论文为Thakur, G.C.N.、Uday, A.、Cebecauer, M.、Roos, W.H.、Cwiklik, L.、Hof, M.、Jurkiewicz, P.及Melcrová, A.的《跨膜肽（Transmembrane Peptide）的电荷改变其与脂质膜的相互作用》（原标题：Charge of a Transmembrane Peptide Alters Its Interaction with Lipid Membranes），发表于《胶体与界面科学B辑：生物界面（Colloids and Surfaces B: Biointerfaces）》2024年，DOI：10.1016/j.colsurfb.2024.113765。 本数据集包含针对跨膜肽WALP-KD与WALP-KK4+及其与模型脂质膜相互作用的实验与模拟数据。实验与模拟细节可参见上述论文的“材料与方法”章节。 本数据集包含如下内容： 以"Figure"开头的文件：为上述论文中各图表生成所用的原始数据。 原子力显微镜（Atomic Force Microscopy, AFM）图像：采用JPK Nano Wizard Ultra Speed AFM采集的原始格式文件。 JPK Nano Wizard Ultra Speed AFM力测量所得的力-缩进曲线：存储为*.txt格式，用于分析含与不含跨膜肽的脂质膜的力学特性。 支撑膜及周围支撑基底高度方向的线轮廓（截面剖面）：从JPK Nano Wizard Ultra Speed AFM采集的高度图像中提取得到。 分子动力学（Molecular Dynamics, MD）模拟数据：包括配置文件、轨迹文件，以及沿膜轴方向的膜选定组分的密度分布数据。所有模拟体系对应的文件均存放于各自目录中，模拟体系包括：100% POPC、80/20摩尔比的POPC/POPS，以及分别添加3摩尔% WALP-KD或WALP-KK4+肽的上述两种体系。