Wiehe Kevin, Pierce Brian, Tong Wei Wei, Hwang Howook, Mintseris Julian, Weng Zhiping
Bioinformatics Program, Boston University, Boston, Massachusetts 02215, USA.
Proteins. 2007 Dec 1;69(4):719-25. doi: 10.1002/prot.21747.
We present an evaluation of our protein-protein docking approach using the ZDOCK and ZRANK algorithms, in combination with structural clustering and filtering, utilizing biological data in Rounds 6-11 of the CAPRI docking experiment. We achieved at least one prediction of acceptable accuracy for five of six targets submitted. In addition, two targets resulted in medium-accuracy predictions. In the new scoring portion of the CAPRI exercise, we were able to attain at least one acceptable prediction for the three targets submitted and achieved three medium-accuracy predictions for Target 26. Scoring was performed using ZRANK, a new algorithm for reranking initial-stage docking predictions using a weighted energy function and no structural refinement. Here we outline a practical and successful docking strategy, given limited prior biological knowledge of the complex to be predicted.
我们展示了一种使用ZDOCK和ZRANK算法的蛋白质-蛋白质对接方法评估,结合结构聚类和筛选,利用CAPRI对接实验第6 - 11轮中的生物学数据。对于提交的六个靶标中的五个,我们实现了至少一个具有可接受准确性的预测。此外,两个靶标产生了中等准确性的预测。在CAPRI实验的新评分部分,对于提交的三个靶标,我们能够获得至少一个可接受的预测,并对靶标26实现了三个中等准确性的预测。评分使用ZRANK进行,ZRANK是一种使用加权能量函数且无需结构优化的重新排列初始阶段对接预测的新算法。在此,鉴于对要预测的复合物的先验生物学知识有限,我们概述了一种实用且成功的对接策略。