PDB: 6RP8, Crystal Structure of Ipilimumab Fab complexed with CTLA-4 (313K, 40°C, 200 ns)

Molecular Dynamics Simulations (200 nanoseconds) of Crystal Structure of Ipilimumab Fab complexed with CTLA-4 (313K, 40°C, 200 ns). Includes PDB files obtained every 50ns and free energy calculation.

伊匹单抗抗原结合片段（Ipilimumab Fab）与细胞毒性T淋巴细胞相关蛋白4（CTLA-4）复合物晶体结构的200纳秒分子动力学模拟（Molecular Dynamics Simulations），模拟参数为313K（即40℃），总模拟时长200纳秒。本数据集包含每50纳秒采集的蛋白质数据库（PDB，Protein Data Bank）文件与自由能计算结果。