Current Drug Targets

Francis J. Castellino
Kleiderer-Pezold Professor of Biochemistry
Director, W.M. Keck Center for Transgene Research
Dean Emeritus, College of Science
230 Raclin-Carmichael Hall, University of Notre Dame
Notre Dame, IN 46556
USA

Back

Translate in Chinese

Soft Computing Techniques for the Protein Folding Problem on High Performance Computing Architectures

Author(s): Antonio Llanes, Andrés Muñoz, Andrés Bueno-Crespo, Teresa García-Valverde, Antonia Sánchez, Francisco Arcas-Túnez, Horacio Pérez-Sánchez, José M. Cecilia.

Graphical Abstract:


Abstract:

The protein-folding problem has been extensively studied during the last fifty years. The understanding of the dynamics of global shape of a protein and the influence on its biological function can help us to discover new and more effective drugs to deal with diseases of pharmacological relevance. Different computational approaches have been developed by different researchers in order to foresee the threedimensional arrangement of atoms of proteins from their sequences. However, the computational complexity of this problem makes mandatory the search for new models, novel algorithmic strategies and hardware platforms that provide solutions in a reasonable time frame. We present in this revision work the past and last tendencies regarding protein folding simulations from both perspectives; hardware and software. Of particular interest to us are both the use of inexact solutions to this computationally hard problem as well as which hardware platforms have been used for running this kind of Soft Computing techniques.

Keywords: Soft computing, protein folding problem, protein structure prediction, parallel computing, distributed computing, metaheuristics, high performance computing.

Order Reprints Order Eprints Rights & PermissionsPrintExport

Article Details

VOLUME: 17
ISSUE: 14
Year: 2016
Page: [1626 - 1648]
Pages: 23
DOI: 10.2174/1389450117666160201114028
Price: $58