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作者:

Wang Cun-Xin (Wang Cun-Xin.) | Chang Shan (Chang Shan.) | Gong Xin-Qi (Gong Xin-Qi.) | Yang Feng (Yang Feng.) | Li Chun-Hua (Li Chun-Hua.) | Chen Wei-Zu (Chen Wei-Zu.)

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Scopus SCIE PKU CSCD

摘要:

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.

关键词:

Binding site information Protein-protein docking Scoring function Scoring scheme

作者机构:

  • [ 1 ] [Wang Cun-Xin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 2 ] [Yang Feng]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 3 ] [Li Chun-Hua]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 4 ] [Chen Wei-Zu]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 5 ] [Chang Shan]S China Agr Univ, Coll Informat, Guangzhou 510642, Guangdong, Peoples R China
  • [ 6 ] [Gong Xin-Qi]Tsinghua Univ, Sch Life Sci, Beijing 100084, Peoples R China

通讯作者信息:

  • [Wang Cun-Xin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China

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来源 :

ACTA PHYSICO-CHIMICA SINICA

ISSN: 1000-6818

年份: 2012

期: 4

卷: 28

页码: 751-758

1 0 . 9 0 0

JCR@2022

ESI学科: CHEMISTRY;

ESI高被引阀值:233

JCR分区:4

中科院分区:4

被引次数:

WoS核心集被引频次: 8

SCOPUS被引频次: 12

ESI高被引论文在榜: 0 展开所有

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