KKEEVKKEEV(PK)7KEEVKKEEVKK (charged) disordered linker simulations with AMBER99SB_DISP

Classical MD simulations of the disordered linker with sequence KKEEVKKEEV(PK)7KEEVKKEEVKK (charged) disordered linker using AMBER99SB_DISP 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)).本数据集包含针对带电荷序列为KKEEVKKEEV(PK)7KEEVKKEEVKK的无序连接子（disordered linker）所开展的经典分子动力学（Classical MD）模拟。模拟采用AMBER99SB_DISP力场（AMBER99SB_DISP force field），并在水溶液环境中运行。本次模拟共设置5个重复体系，分别标记为model01、model02、model03、model04、model05，所有体系的初始结构均通过IDPconfGen生成，相关方法源自Teixeira等人2022年的研究工作。