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Author:

Gong XinQi (Gong XinQi.) | Liu Bin (Liu Bin.) | Chang Shan (Chang Shan.) | Li ChunHua (Li ChunHua.) | Chen WeiZu (Chen WeiZu.) | Wang CunXin (Wang CunXin.)

Indexed by:

Scopus SCIE PubMed

Abstract:

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.

Keyword:

CAPRI structure prediction molecular docking binding site protein-protein complex

Author Community:

  • [ 1 ] [Gong XinQi]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 2 ] [Liu Bin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 3 ] [Chang Shan]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 4 ] [Li ChunHua]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 5 ] [Chen WeiZu]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 6 ] [Wang CunXin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China

Reprint Author's Address:

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

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Source :

SCIENCE CHINA-LIFE SCIENCES

ISSN: 1674-7305

Year: 2010

Issue: 9

Volume: 53

Page: 1152-1161

9 . 1 0 0

JCR@2022

ESI Discipline: BIOLOGY & BIOCHEMISTRY;

JCR Journal Grade:4

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 7

SCOPUS Cited Count: 7

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 8

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