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口袋位置放大多少尺寸。 配置成功后,单击“提交”。 查看分子对接结果。 如果是多受体对多配体,打开作业结果页面可以看到结合能二维矩阵,支持分别按照靶点和小分子进行排序。 图4 查看输出结果(1) 单击受体结合能框,跳转到单受体对多配体的结果表页面,可以下载全量及单条对接结果。 如果需要下载多个结果
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LC50,导致50% Daphnia magna死亡,在48小时后的化学物质浓度。单位为−log10[(mg/L)/(1000*MW)]。 Tox21通路(Tox21 Pathway) NR-AR: Androgen receptor,雄激素受体。在AR依赖性前列腺癌和其他相关雄激素相关疾病中