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.
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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. ⟨hal-01419374v2⟩

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