Data and workflow files for "Solubilities of Homotetrapeptides and Spider-Silk Motifs Assessed via All-Atom Molecular Dynamics Simulations and Solubility Measurements"

This dataset contains data and workflow files supporting the manuscript “Solubilities of Homotetrapeptides and Spider-Silk Motifs Assessed via All-Atom Molecular Dynamics Simulations and Solubility Measurements”. The archive includes representative molecular-simulation input files, ERmod setup files, processed numerical data used for the figures and correlation analyses, figure-preparation files, analysis scripts, and machine-readable metadata tables for the homotetrapeptide and MaSp motif peptide systems examined in the study.本数据集包含为下述研究论文提供支撑的各类数据与工作流文件：《通过全原子分子动力学模拟（all-atom molecular dynamics simulations）与溶解度测定评估同四肽（homotetrapeptide）及蛛丝基序（spider-silk motif）的溶解度》。本存档包涵盖本研究中考察的同四肽与MaSp基序肽体系的代表性分子模拟输入文件、ERmod设置文件、用于绘图与相关性分析的经处理数值数据、绘图制备文件、分析脚本，以及机器可读元数据表。