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Protein structure prediction can be shown to be an NP-hard problem; the number of conformations grows exponentially with the number of residues. The native conformations of proteins occupy a very small subset of these, hence an exploratory,…

Chemical Physics · Physics 2008-02-03 Mehul M. Khimasia , Peter V. Coveney

Predicting protein secondary structure using lattice model is one of the most studied computational problem in bioinformatics. Here secondary structure or three dimensional structure of protein is predicted from its amino acid sequence.…

Computational Engineering, Finance, and Science · Computer Science 2014-07-18 Dipan Lal Shaw , M. Sohel Rahman , A. S. M. Sohidull Islam , Shuvasish Karmaker

Protein design is the inverse approach of the three-dimensional (3D) structure prediction for elucidating the relationship between the 3D structures and amino acid sequences. In general, the computation of the protein design involves a…

Biological Physics · Physics 2021-07-14 Tomoei Takahashi , George Chikenji , Kei Tokita

This paper presents a genetic-based hybrid algorithm that combines the exploration power of Genetic Algorithm (GA) with the exploitation capacity of a phenotypical probabilistic local search algorithm. Though not limited to a certain class…

Optimization and Control · Mathematics 2016-11-26 Reza Najian Asl , Mohamad Aslani , Masoud Shariat Panahi

Protein structure prediction (PSP) is computationally a very challenging problem. The challenge largely comes from the fact that the energy function that needs to be minimised in order to obtain the native structure of a given protein is…

Computational Engineering, Finance, and Science · Computer Science 2013-11-18 Mahmood A. Rashid , M. A. Hakim Newton , Md. Tamjidul Hoque , Abdul Sattar

As protein folding is a NP-complete problem, artificial intelligence tools like neural networks and genetic algorithms are used to attempt to predict the 3D shape of an amino acids sequence. Underlying these attempts, it is supposed that…

Biomolecules · Quantitative Biology 2015-11-03 Jacques M. Bahi , Nathalie M. -L. Cote , Christophe Guyeux

Protein structure prediction based on Hydrophobic-Polar energy model essentially becomes searching for a conformation having a compact hydrophobic core at the center. The hydrophobic core minimizes the interaction energy between the amino…

Computational Engineering, Finance, and Science · Computer Science 2013-11-01 Swakkhar Shatabda , M. A. Hakim Newton , Duc Nghia Pham , Abdul Sattar

Protein structure prediction is considered as one of the most challenging and computationally intractable combinatorial problem. Thus, the efficient modeling of convoluted search space, the clever use of energy functions, and more…

Neural and Evolutionary Computing · Computer Science 2016-07-22 Mahmood A. Rashid , Sumaiya Iqbal , Firas Khatib , Md Tamjidul Hoque , Abdul Sattar

As the structural databases continue to expand, efficient methods are required to search similar structures of the query structure from the database. There are many previous works about comparing protein 3D structures and scanning the…

Databases · Computer Science 2011-02-16 Gook-Pil Roh , Seung-won Hwang , Byoung-Kee Yi

Predicting protein structure from amino acid sequence is one of the most important unsolved problems of molecular biology and biophysics.Not only would a successful prediction algorithm be a tremendous advance in the understanding of the…

Computational Engineering, Finance, and Science · Computer Science 2010-06-15 K. K Senapati , G. Sahoo , D. Bhaumik

3-SAT problem is of great importance to many technical and scientific applications. This paper presents a new hybrid evolutionary algorithm for solving this satisfiability problem. 3-SAT problem has the huge search space and hence it is…

Artificial Intelligence · Computer Science 2013-06-24 Nasser Lotfi , Jamshid Tamouk , Mina Farmanbar

We present an analytical method for determining the designability of protein structures. We apply our method to the case of two-dimensional lattice structures, and give a systematic solution for the spectrum of any structure. Using this…

Soft Condensed Matter · Physics 2009-10-31 Edo L. Kussell , Eugene I. Shakhnovich

The protein design problem involves finding polypeptide sequences folding into a given threedimensional structure. Its rigorous algorithmic solution is computationally demanding, involving a nested search in sequence and structure spaces.…

Quantum Physics · Physics 2024-07-11 Veronica Panizza , Philipp Hauke , Cristian Micheletti , Pietro Faccioli

A protein is a linear chain containing a set of amino acids, which folds on itself to create a specific native structure, also called the minimum energy conformation. It is the native structure that determines the functionality of each…

Biomolecules · Quantitative Biology 2021-05-28 Nabil Boumedine , Sadek Bouroubi

We address protein structure prediction in the 3D Hydrophobic-Polar lattice model through two novel deep learning architectures. For proteins under 36 residues, our hybrid reservoir-based model combines fixed random projections with…

Machine Learning · Computer Science 2024-12-31 Giovanny Espitia , Yui Tik Pang , James C. Gumbart

Protein Structure Prediction (PSP) is an unsolved problem in the field of computational biology. The problem of protein structure prediction is about predicting the native conformation of a protein, while its sequence of amino acids is…

Biomolecules · Quantitative Biology 2022-06-06 Hossein Parineh , Nasser Mozayani

The analysis of the three-dimensional structure of proteins is an important topic in molecular biochemistry. Structure plays a critical role in defining the function of proteins and is more strongly conserved than amino acid sequence over…

Applications · Statistics 2015-01-19 Abel Rodriguez , Scott C. Schmidler

Nowadays hybrid evolutionary algorithms, i.e, heuristic search algorithms combining several mutation operators some of which are meant to implement stochastically a well known technique designed for the specific problem in question while…

Neural and Evolutionary Computing · Computer Science 2014-04-23 Boris Mitavskiy , Jun He

This paper presents a novel Differential Evolution algorithm for protein folding optimization that is applied to a three-dimensional AB off-lattice model. The proposed algorithm includes two new mechanisms. A local search is used to improve…

Artificial Intelligence · Computer Science 2018-05-08 Borko Bošković , Janez Brest

Predicting the three-dimensional (3D) structure of a protein from its primary sequence of amino acids is known as the protein folding (PF) problem. Due to the central role of proteins' 3D structures in chemistry, biology and medicine…

Quantum Physics · Physics 2021-03-18 Anton Robert , Panagiotis Kl. Barkoutsos , Stefan Woerner , Ivano Tavernelli
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