A holistic molecular docking approach for predicting protein-protein complex structure
A holistic molecular docking approach for predicting protein-protein complex structure
复制标题
预测蛋白质-蛋白质复合物结构的整体分子对接方法
DOI：
10.1007/s11427-010-4050-0
复制
发表时间：
2010-09-01
影响因子：
9.1
通讯作者：
Wang CunXin
中科院分区：
文献类型：
--
作者：
Gong XinQi;Liu Bin;Wang CunXin
A holistic protein-protein molecular docking approach, HoDock, was established, composed of such steps as binding site prediction, initial complex structure sampling, refined complex structure sampling, structure clustering, scoring and final structure selection. This article explains the detailed steps and applications for CAPRI Target 39. The CAPRI result showed that three predicted binding site residues, A191HIS, B512ARG and B531ARG, were correct, and there were five submitted structures with a high fraction of correct receptor-ligand interface residues, indicating that this docking approach may improve prediction accuracy for protein-protein complex structures.
