Citation: WANG Cun-Xin, CHANG Shan, NG Xin-Qi, YANG Feng, LI Chun-Hua, CHEN Wei-Zu. Progress in the Scoring Functions of Protein-Protein Docking[J]. Acta Physico-Chimica Sinica, ;2012, 28(04): 751-758. doi: 10.3866/PKU.WHXB201202022 shu

Progress in the Scoring Functions of Protein-Protein Docking

1.
1. College of Life Science and Bioengineering, Beijing University of Technology, Beijing 100124, P. R. China;
2. College of Informatics, South China Agricultural University, Guangzhou 510642, P. R. China;
3. School of Life Sciences, Tsinghua University, Beijing 100084, P. R. China

Received Date: 22 November 2011
Available Online: 2 February 2012
Fund Project: 国家自然科学基金(10974008, 31171267) (10974008, 31171267) 教育部博士点基金项目(200800050003) (200800050003)科技部国际合作项目(2010DFA31710)资助 (2010DFA31710)

Molecular docking technology is an effective approach for prediction of intermolecular interactions and recognition. The design of a scoring function for selecting near-native structures is very important for successful prediction of complex structures. In this article, the main computational methods for scoring items in protein-protein docking, such as geometric complementarity, contact area, van der Waals' interaction, electrostatic interaction, and statistical pair propensity potential, are reviewed. Including our work, we introduce commonly used scoring schemes and some strategies in screening decoys based on the information for protein binding sites. The characteristic scoring functions in the commonly used docking programs are compared and summarized. The major problems in the existing scoring function in protein-protein docking are discussed along with prospect for future research.
- Protein-protein docking,
- Scoring function,
- Scoring scheme,
- Binding site information
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