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arXiv · 1701.00673

Inverse Protein Folding Problem via Quadratic Programming

Andrii Riazanov·Mikhail Karasikov·Sergei Grudinin
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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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Andrii Riazanov, Mikhail Karasikov, Sergei Grudinin. 2017-01-03. Inverse Protein Folding Problem via Quadratic Programming. https://arxiv.org/abs/1701.00673

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