Inverse Protein Folding Problem via Quadratic Programming
Quantitative Methods
2017-01-04 v1 Optimization and Control
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.
Cite
@article{arxiv.1701.00673,
title = {Inverse Protein Folding Problem via Quadratic Programming},
author = {Andrii Riazanov and Mikhail Karasikov and Sergei Grudinin},
journal= {arXiv preprint arXiv:1701.00673},
year = {2017}
}