Обсуждение участника:Andrey Ryazanov
Материал из MachineLearning.
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| - | + | == Научно-исследовательская работа == | |
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| + | === 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. | ||
Текущая версия
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.
