MD simulation of gp45 from bacteriophage RB59 - Open model type 1

MD trajectory of gp45 from bacteriophage RB59 is provided: A protein structure file (PSF) and dcd format trajectory file are included. The time step between frames is 100 ps. Water molecules and ions have been omitted. Steered molecular dynamics were used to open one of the interfaces (Open model \"type 1\" in the paper).

本数据集提供噬菌体RB59来源的gp45蛋白的分子动力学（MD）轨迹，包含蛋白质结构文件（Protein Structure File, PSF）与dcd格式轨迹文件。各轨迹帧之间的时间步长为100皮秒（ps），体系内的水分子与离子已被去除。本次模拟采用定向分子动力学技术打开其中一个蛋白界面，对应论文中的“type 1”开放模型。