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Proceedings ArticleDOI

FPGA accelerator for protein structure prediction algorithm

TLDR
A codesign methodology to build hardware accelerators to minimize the running time of a protein energy minimization algorithm and it has been shown that significant speedups can be obtained by moving core time consuming functions onto an FPGA.
Abstract
Bioinformatics applications are computationally very expensive programs. They work with large data sets and also consume a lot of CPU cycles and often require high degrees of precision. An important application in this area is tertiary structure prediction of proteins. This paper reports a codesign methodology to build hardware accelerators to minimize the running time of a protein energy minimization algorithm. It has been shown that significant speedups can be obtained by moving core time consuming functions onto an FPGA. It has been shown that a 5 fold decrease in the run time of the application can be achieved by simply moving one core function into hardware. Upto an order of magnitude improvement in runtimes can be obtained by moving two functions (core functions in many other bioinformatics applications) which consume 99% of the CPU cycles in the chosen application. A generalized speedup analysis using single and multiple FPGA cards has also been presented.

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Citations
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Journal ArticleDOI

FPGA accelerator for protein secondary structure prediction based on the GOR algorithm

TL;DR: A complete fine-grained parallel hardware implementation on FPGA to accelerate the GOR-IV package for 2D protein structure prediction and shows a speedup factor of more than 430x over the original G OR-IV version and 110x speedup over the optimized version with multi-thread SIMD implementation.
Journal ArticleDOI

FPGA-based hardware accelerator for the prediction of protein secondary class via fuzzy K-nearest neighbors with Lempel–Ziv complexity based distance measure

TL;DR: F fuzzy NN-CDM (FKNN- CDM) algorithm is proposed that incorporates the confidence level of prediction results and enhance the prediction process by designing hardware architecture that implements the proposed algorithm in an FPGA board.
Proceedings ArticleDOI

Disease Diagnosis-on-a-Chip: Large Scale Networks-on-Chip based Multicore Platform for Protein Folding Analysis

TL;DR: This work first identifies the speedup bottleneck for applying conventional genetic algorithm on a mesh-based multi-core platform, and proposes a genetic migration algorithm to take advantage of the massive parallel platform.
Dissertation

Design methodologies and architectures of hardware-based evolutionary algorithms for aerospace optimisation applications on FPGAS

Jonathan Kok
TL;DR: This thesis is a study of new design methods for allowing evolutionary algorithms to be more effectively utilised in aerospace optimisation applications where computation needs are high and computation platform space may be restrictive.
Journal ArticleDOI

Enhanced Van der Waals calculations in genetic algorithms for protein structure prediction

TL;DR: This paper proposes an efficient technique to compute the van der Waals energy (the greatest contributor to protein stability) speeding up the whole GA, and developed a Cell‐List Reconstruction procedure that divides the tridimensional space into a cell grid for each new structure that the GA generates.
References
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Journal ArticleDOI

Principles that Govern the Folding of Protein Chains

TL;DR: Anfinsen as discussed by the authors provided a sketch of the rich history of research that provided the foundation for his work on protein folding and the Thermodynamic Hypothesis, and outlined potential avenues of current and future scientific exploration.
PatentDOI

Method to identify protein sequences that fold into a known three-dimensional structure

TL;DR: In this article, a computer-assisted method for identifying protein sequences that fold into a known 3D structure was proposed, based on three key features of each residue's environment within the structure: (1) the total area of the residue's side-chain that is buried by other protein atoms, inaccessible to solvent; (2) the fraction of the side-chains area that is covered by polar atoms (O, N) or water; and (3) the local secondary structure.
Journal ArticleDOI

Protein structure prediction and analysis using the Robetta server

TL;DR: The Robetta server provides automated tools for protein structure prediction and analysis and current capabilities include the prediction of the effects of mutations on protein-protein interactions using computational interface alanine scanning.
Journal ArticleDOI

SCRATCH: a protein structure and structural feature prediction server

TL;DR: SCRATCH is a server for predicting protein tertiary structure and structural features and includes predictors for secondary structure, relative solvent accessibility, disordered regions, domains, disulfide bridges, single mutation stability, residue contacts versus average, individual residue contacts and tertiaries structure.
Journal ArticleDOI

Bhageerath: an energy based web enabled computer software suite for limiting the search space of tertiary structures of small globular proteins

TL;DR: An energy based computer software suite for narrowing down the search space of tertiary structures of small globular proteins that combines physics based potentials with biophysical filters to arrive at 10 plausible candidate structures starting from sequence and secondary structure information.
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