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Updated: Mar 26, 2026

Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
Published on: July 25, 2013
Soft Computing Techniques for the Protein Folding Problem on High Performance Computing Architectures
Antonio Llanes, Andrés Muñoz, Andrés Bueno-Crespo
1Computer Science Department, Bioinformatics and High Performance Computing Research Group (BIOHPC), Universidad Católica San Antonio de Murcia (UCAM), Campus de los Jerónimos, s/n Guadalupe 30107 (Murcia), Spain.
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.
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