码头
自动停靠
拟肽
对接(动物)
计算机科学
肽
寻找对接的构象空间
蛋白质-配体对接
化学
计算生物学
蛋白质结构
生物化学
医学
虚拟筛选
生物
药物发现
生物信息学
基因
护理部
作者
Gaoqi Weng,Junbo Gao,Zhe Wang,Ercheng Wang,Xueping Hu,Xiaojun Yao,Dongsheng Cao,Tingjun Hou
标识
DOI:10.1021/acs.jctc.9b01208
摘要
(the fraction of native contacts). In global docking, HPEPDOCK performs the best for the entire data set and yields the success rates of 4.3%, 24.3%, and 55.7% at the top 1, 10, and 100 levels, respectively. In local docking, overall, ADCP achieves the best predictions and reaches the success rates of 11.9%, 37.3%, and 70.3% at the top 1, 10, and 100 levels, respectively. It is expected that our work can provide some helpful insights into the selection and development of improved docking programs for PpIs. The benchmark data set is freely available at http://cadd.zju.edu.cn/pepset/.
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