Обсуждение участника:Andrey Ryazanov

Материал из MachineLearning.

Научно-исследовательская работа

Весна 2016, 16-й семестр

Inverse Protein Folding Problem via Quadratic Prgramming, Рязанов А. В., Карасиков М. Е., Грудинин С. В. 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.