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（Ipilimumab）抗原结合片段（Fragment, Antigen-binding, Fab）与细胞毒性T淋巴细胞相关蛋白4（Cytotoxic T-Lymphocyte-Associated Protein 4, CTLA-4）复合物晶体结构的200纳秒分子动力学模拟，模拟温度为313K（即40℃），总模拟时长200 ns。本数据集包含每50纳秒采集的蛋白质数据银行（Protein Data Bank, PDB）文件以及自由能计算结果。