PROTAC Ternary Models: Brd4bd1-zxh327/zxh2147/zxh2184/zxh326/dbet70-CRBN

This dataset contains all ternary models of system: Brd4bd1-zxh327/zxh2147/zxh2184/zxh326/dbet70-CRBN. All ternary models pass two filters: linker rmsd (geometry) and Rosetta minimization energy (energy). As no ternary model of PROTAC zxh-3-27 passed the two filters, there is no folder named zxh327. The score.zip contains all Rosetta minimization Inter_E scores of all ternary models.本数据集包含体系Brd4bd1-zxh327/zxh2147/zxh2184/zxh326/dbet70-CRBN的全部三元复合物模型。所有三元复合物模型均通过两项筛选标准：接头均方根偏差（几何结构维度）与Rosetta最小化能量（能量维度）。由于PROTAC（蛋白降解靶向嵌合体）zxh-3-27未通过上述两项筛选，因此不存在名为zxh327的文件夹。score.zip压缩包包含所有三元复合物模型的Rosetta最小化界面能量评分。