标题：Protein-protein binding sites prediction by 3D structural similarities
作者：Guo, F.;Li, S.C.;Wang, L.
作者机构：[Guo, F] School of Computer Science and Technology, Shandong University, Jinan 250101, Shandong, China;[ Li, S.C] Department of Computer Science, City 更多
通讯作者地址：[Wang, LS]City Univ Hong Kong, Dept Comp Sci, 83 Tat Chee Ave, Kowloon, Hong Kong, Peoples R China.
来源：Journal of chemical information and modeling
摘要：Identifying the location of binding sites on proteins is of fundamental importance for a wide range of applications including molecular docking, de novo drug design, structure identification, and comparison of functional sites. In this paper, we develop an efficient approach for finding binding sites between proteins. Our approach consists of four steps: local sequence alignment, protein surface detection, 3D structure comparison, and candidate binding site selection. A comparison of our method with the LSA algorithm shows that the binding sites predicted by our method are somewhat closer to the actual binding sites in the protein-protein complexes. The software package is available at http://sites.google.com/site/guofeics/pro-bs for noncommercial use.