Data for spontaneous sorting of polyleucines in thickness gradient

Water removed from all trajectories. Each simulation 100 microseconds long Peptides (Leu17, Leu19, ... , Leu29) start from thin, thick, or intermediate part of the membrane. Alternatively, systems with multiple Leu19, Leu23, or Leu27 were simulated with the peptides starting at different thicknesses in the same simulation. Martini 2.2 https://www.biorxiv.org/content/10.1101/2024.02.02.578561v1.abstract所有模拟轨迹均已移除水分子。 单次模拟时长为100微秒。 肽（peptide）类（Leu17、Leu19、……、Leu29）的初始位置为膜的薄区、厚区或中间区域。 此外，针对包含多条Leu19、Leu23或Leu27肽的模拟体系，在同一次模拟中令这些肽分别起始于膜的不同厚度区域。 模拟采用马丁尼2.2（Martini 2.2）粗粒化力场。 相关预印本链接：https://www.biorxiv.org/content/10.1101/2024.02.02.578561v1.abstract