Structure-guided disulfide engineering restricts antibody conformation to elicit TNFR agonism

This dataset contains the input files used to run conventional MD simulations described in 'Structure-guided disulfide engineering restricts antibody conformation to elicit TNFR agonism', as well as the structures extracted from these simulations used in GAJOE and CRYSOL analysis (see sasbdb.org deposited dataset SASDSC7 and SASDSD7).本数据集包含两类内容：其一为文献《Structure-guided disulfide engineering restricts antibody conformation to elicit TNFR agonism》中所述常规分子动力学（Molecular Dynamics, MD）模拟的运行输入文件；其二为从上述模拟中提取、用于GAJOE与CRYSOL分析的结构数据。相关存档数据集可详见sasbdb.org平台收录的SASDSC7与SASDSD7。