Potentials 'R'Us web-server for protein energy estimations with coarse-grained knowledge-based potentials

被引:22
作者
Feng, Yaping [1 ,2 ]
Kloczkowski, Andrzej [1 ,2 ]
Jernigan, Robert L. [1 ,2 ]
机构
[1] Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA
[2] Iowa State Univ, LH Baker Ctr Bioinformat & Biol Stat, Ames, IA 50011 USA
来源
BMC BIOINFORMATICS | 2010年 / 11卷
关键词
STRUCTURE PREDICTION; CONTACT POTENTIALS; RECOGNITION; DECOYS;
D O I
10.1186/1471-2105-11-92
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Background: Knowledge-based potentials have been widely used in the last 20 years for fold recognition, protein structure prediction from amino acid sequence, ligand binding, protein design, and many other purposes. However generally these are not readily accessible online. Results: Our new knowledge-based potential server makes available many of these potentials for easy use to automatically compute the energies of protein structures or models supplied. Our web server for protein energy estimation uses four-body potentials, short-range potentials, and 23 different two-body potentials. Users can select potentials according to their needs and preferences. Files containing the coordinates of protein atoms in the PDB format can be uploaded as input. The results will be returned to the user's email address. Conclusions: Our Potentials 'R'Us server is an easily accessible, freely available tool with a web interface that collects all existing and future protein coarse-grained potentials and computes energies of multiple structural models.
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页数:5
相关论文
共 17 条
[1]  
Bahar I, 1997, PROTEINS, V29, P292, DOI 10.1002/(SICI)1097-0134(199711)29:3<292::AID-PROT4>3.0.CO
[2]  
2-D
[3]  
BRADLEY P, 2002, ROSETTA PREDICTIONS, P457
[4]  
FANG QJ, 2002, PREDICTION PROTEIN S, P486
[5]   Four-body contact potentials derived from two protein datasets to discriminate native structures from decoys [J].
Feng, Yaping ;
Kloczkowski, Andrzej ;
Jernigan, Robert L. .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2007, 68 (01) :57-66
[6]   Computational studies of protein folding [J].
Friesner, RA ;
Gunn, JR .
ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE, 1996, 25 :315-342
[7]   Comparative modeling for protein structure prediction [J].
Ginalski, K .
CURRENT OPINION IN STRUCTURAL BIOLOGY, 2006, 16 (02) :172-177
[8]   Effective energy functions for protein structure prediction [J].
Lazaridis, T ;
Karplus, M .
CURRENT OPINION IN STRUCTURAL BIOLOGY, 2000, 10 (02) :139-145
[9]   STRUCTURE OF THE C-TERMINAL DOMAIN OF THE RIBOSOMAL PROTEIN-L7 PROTEIN-L12 FROM ESCHERICHIA-COLI AT 1.7 A [J].
LEIJONMARCK, M ;
LILJAS, A .
JOURNAL OF MOLECULAR BIOLOGY, 1987, 195 (03) :555-580
[10]   Residue-residue potentials with a favorable contact pair term and an unfavorable high packing density term, for simulation and threading [J].
Miyazawa, S ;
Jernigan, RL .
JOURNAL OF MOLECULAR BIOLOGY, 1996, 256 (03) :623-644