K(AP)5K disordered linker simulations with CHARMM36M

Classical MD simulations of the disordered linker with sequence KAPAPAPAPAPK (K(AP)5)K) using CHARMM36M force field, run in water. Five replicas (mentioned as model01,02,03,04,05) were run with five different initial structures generated with IDPconfGen (Teixeira et al. (2022)).采用CHARMM36M力场，在水溶液环境中对序列为KAPAPAPAPAPK（K(AP)5)K）的无序连接肽开展经典分子动力学模拟。本次模拟共设置五个重复体系，分别命名为model01、model02、model03、model04、model05，各体系的初始结构均由Teixeira等（2022）开发的固有无序蛋白构象生成工具（IDPconfGen）生成。