Molecular dynamics simulations of CD59 and CD59-inhibited Membrane Attack Complex

Coarse-grain (CG) trajectories of CD59-C5b8 (last 1,500 ns):

cd59-c5b8_1500ns_rep1.xtc

cd59-c5b8_1500ns_rep2.xtc

cd59-c5b8_1500ns_rep3.xtc

PyLipID analysis results from CG CD59-C5b8 simulations:

Interactions_CHOL.csv

Interactions_DOPC.csv

Atomistic CD59 simulations in DOPC membrane:

cd59_at_rep1_light.trr

cd59_at_rep2_light.trr

cd59_at_rep3_light.trr

CD59 Euler angles relative to the membrane: 

rep1.csv

rep2.csv

rep3.csv

All xtc and trr files were down-sampled (frames removed) to decrease file size.

CD59-C5b8的粗粒度（Coarse-grain, CG）模拟轨迹（最后1500 ns时段）：
cd59-c5b8_1500ns_rep1.xtc
cd59-c5b8_1500ns_rep2.xtc
cd59-c5b8_1500ns_rep3.xtc

基于CG CD59-C5b8模拟的PyLipID分析结果：
Interactions_CHOL.csv
Interactions_DOPC.csv

DOPC双分子层中的全原子（Atomistic）CD59模拟：
cd59_at_rep1_light.trr
cd59_at_rep2_light.trr
cd59_at_rep3_light.trr

相对于膜的CD59欧拉角（Euler angles）数据：
rep1.csv
rep2.csv
rep3.csv

所有xtc与trr格式文件均已进行降采样（移除部分帧）以减小文件体积。