SphereGrinder - reference structure-based tool for quality assessment of protein structural models

被引:20
作者
Lukasiak, Piotr [1 ]
Antczak, Maciej
Ratajczak, Tomasz [1 ]
Blazewicz, Jacek [2 ]
机构
[1] Poznan Univ Tech, Inst Comp Sci, Piotrowo 2, PL-60965 Poznan, Poland
[2] Polish Acad Sci, Inst Bioorgan Chem, PL-61704 Poznan, Poland
来源
PROCEEDINGS 2015 IEEE INTERNATIONAL CONFERENCE ON BIOINFORMATICS AND BIOMEDICINE | 2015年
关键词
protein quality evaluation; protein analysis; visualization tool; STRUCTURE PREDICTION;
D O I
10.1109/BIBM.2015.7359765
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
3D protein structure prediction is of significant interest in the biological research community. Nowadays, one can find many methodologies that can lead to model protein structures, and for that reason the plausible assessment of the quality of protein structural models has fundamental impact on the progress of structural bioinformatics. Here, we present SphereGrinder, a novel computational tool devoted to evaluation of protein 3D models according to the reference structure that gives an opportunity to proceed with structural analysis from atomic to the whole molecule level of accuracy. Proposed tool is capable of handling large predicted models set is designed and used for protein structure prediction in CASP ( Critical Assessment of Techniques for Protein Structure Prediction) experiment to complement and add value to the traditional protein structure quality assessment by the global distance test and related scores. SphereGrinder is a user-friendly software that allows the comprehensive quality inspection conducted between the set of predicted protein models and the reference structure. It is implemented as an online application available for free use by all academic users at the URL http://spheregrinder.cs.put.poznan.pl.
引用
收藏
页码:665 / 668
页数:4
相关论文
共 16 条
[1]   The Protein Data Bank [J].
Berman, HM ;
Westbrook, J ;
Feng, Z ;
Gilliland, G ;
Bhat, TN ;
Weissig, H ;
Shindyalov, IN ;
Bourne, PE .
NUCLEIC ACIDS RESEARCH, 2000, 28 (01) :235-242
[2]   SOLUTION FOR BEST ROTATION TO RELATE 2 SETS OF VECTORS [J].
KABSCH, W .
ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (SEP1) :922-923
[3]   CASP prediction center infrastructure and evaluation measures in CASP10 and CASP ROLL [J].
Kryshtafovych, Andriy ;
Monastyrskyy, Bohdan ;
Fidelis, Krzysztof .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2014, 82 :7-13
[4]   Target highlights in CASP9: Experimental target structures for the critical assessment of techniques for protein structure prediction [J].
Kryshtafovych, Andriy ;
Moult, John ;
Bartual, Sergio G. ;
Bazan, J. Fernando ;
Berman, Helen ;
Casteel, Darren E. ;
Christodoulou, Evangelos ;
Everett, John K. ;
Hausmann, Jens ;
Heidebrecht, Tatjana ;
Hills, Tanya ;
Hui, Raymond ;
Hunt, John F. ;
Seetharaman, Jayaraman ;
Joachimiak, Andrzej ;
Kennedy, Michael A. ;
Kim, Choel ;
Lingel, Andreas ;
Michalska, Karolina ;
Montelione, Gaetano T. ;
Otero, Jose M. ;
Perrakis, Anastassis ;
Pizarro, Juan C. ;
van Raaij, Mark J. ;
Ramelot, Theresa A. ;
Rousseau, Francois ;
Tong, Liang ;
Wernimont, Amy K. ;
Young, Jasmine ;
Schwede, Torsten .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2011, 79 :6-20
[5]  
Lukasiak P, 2012, P CASP10 GAET IT, P274
[6]  
Lukasiak P., 2011, 24 EUR C OP RES EURO, P26
[7]   RNAssess-a web server for quality assessment of RNA 3D structures [J].
Lukasiak, Piotr ;
Antczak, Maciej ;
Ratajczak, Tomasz ;
Szachniuk, Marta ;
Popenda, Mariusz ;
Adamiak, Ryszard W. ;
Blazewicz, Jacek .
NUCLEIC ACIDS RESEARCH, 2015, 43 (W1) :W502-W506
[8]   RNAlyzer-novel approach for quality analysis of RNA structural models [J].
Lukasiak, Piotr ;
Antczak, Maciej ;
Ratajczak, Tomasz ;
Bujnicki, Janusz M. ;
Szachniuk, Marta ;
Adamiak, Ryszard W. ;
Popenda, Mariusz ;
Blazewicz, Jacek .
NUCLEIC ACIDS RESEARCH, 2013, 41 (12) :5978-5990
[9]   Some operations research methods for analyzing protein sequences and structures [J].
Lukasiak, Piotr ;
Blazewicz, Jacek ;
Milostan, Maciej .
ANNALS OF OPERATIONS RESEARCH, 2010, 175 (01) :9-35
[10]   CAD-score: A new contact area difference-based function for evaluation of protein structural models [J].
Olechnovic, Kliment ;
Kulberkyte, Eleonora ;
Venclovas, Ceslovas .
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2013, 81 (01) :149-162