Inverse Protein Folding Problem via Quadratic Programming

Abstract : This paper presents a method of reconstruction a primary structure of a protein that folds into a given geometrical shape. This method predicts the primary structure of a protein and restores its linear sequence of amino acids in the polypeptide chain using the tertiary structure of a molecule. Unknown amino acids are determined according to the principle of energy minimization. This study represents inverse folding problem as a quadratic optimization problem and uses different relaxation techniques to reduce it to the problem of convex optimizations. Computational experiment compares the quality of these approaches on real protein structures.
Type de document :
Communication dans un congrès
Information Technology and Systems 2016, Sep 2016, Repino, St. Petersburg, Russia. pp.561-568, 〈http://itas2016.iitp.ru/en/〉
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https://hal.inria.fr/hal-01419374
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Soumis le : mardi 3 janvier 2017 - 11:10:10
Dernière modification le : jeudi 11 janvier 2018 - 01:49:24
Document(s) archivé(s) le : mardi 4 avril 2017 - 13:05:41

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Distributed under a Creative Commons Paternité - Pas d'utilisation commerciale - Pas de modification 4.0 International License

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  • HAL Id : hal-01419374, version 2
  • ARXIV : 1701.00673

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Andrii Riazanov, Mikhail Karasikov, Sergei Grudinin. Inverse Protein Folding Problem via Quadratic Programming. Information Technology and Systems 2016, Sep 2016, Repino, St. Petersburg, Russia. pp.561-568, 〈http://itas2016.iitp.ru/en/〉. 〈hal-01419374v2〉

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