Data Set Accompanying "Free Energy Decompositions Illuminate Synergistic Effects in Interfacial Binding Thermodynamics of Mixed Surfactant Systems"

This data set accompanies "Free Energy Decompositions Illuminate Synergistic Effects in Interfacial Binding Thermodynamics of Mixed Surfactant Systems" by Colin K. Egan and Ali Hassanali. It includes example GROMACS input files for all simulations analyzed in the paper, as well as example data sets and analysis scripts. See https://doi.org/10.26434/chemrxiv-2023-h11k5 for the preprint manuscript.

本数据集伴随Colin K. Egan与Ali Hassanali所著的研究论文《自由能分解揭示混合表面活性剂体系界面结合热力学中的协同效应》（Free Energy Decompositions Illuminate Synergistic Effects in Interfacial Binding Thermodynamics of Mixed Surfactant Systems）一同发布。数据集包含论文中所分析的全部模拟所用的GROMACS示例输入文件，同时附带示例数据集与分析脚本。可通过链接https://doi.org/10.26434/chemrxiv-2023-h11k5 获取该预印本稿件。