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Author:

Qi LiSheng (Qi LiSheng.) | Su Jiguo (Su Jiguo.) | Chen Weizu (Chen Weizu.) | Wang CunXin (Wang CunXin.)

Indexed by:

EI Scopus SCIE

Abstract:

The "relative entropy" has been used as a minimization function to predict the tertiary structure of a protein backbone, and good results have been obtained. However, in our previous work, the ensemble average of the contact potential was estimated by an approximate calculation. In order to improve the theoretical integrity of the relative-entropy-based method, a new theoretical calculation method of the ensemble average of the contact potential was presented in this work, which is based on the thermodynamic perturbation theory. Tests of the improved algorithm were performed on twelve small proteins. The root mean square deviations of the predicted versus the native structures from Protein Data Bank range from 0.40 to 0.60 nm. Compared with the previous approximate values, the average prediction accuracy is improved by 0.04 nm.

Keyword:

relative entropy minimization method protein folding thermodynamic perturbation

Author Community:

  • [ 1 ] [Qi LiSheng]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 2 ] [Su Jiguo]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 3 ] [Chen Weizu]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 4 ] [Wang CunXin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 5 ] [Su Jiguo]Yanshan Univ, Coll Sci, Qinhuangdao 066004, 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 IN CHINA SERIES G-PHYSICS MECHANICS & ASTRONOMY

ISSN: 1672-1799

Year: 2009

Issue: 6

Volume: 52

Page: 885-892

JCR Journal Grade:3

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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