Участник:Andrey Ryazanov

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=== Весна 2016, 16-й семестр ===
=== Весна 2016, 16-й семестр ===
'''Inverse Protein Folding Problem via Quadratic Prgramming''', Рязанов А. В., Карасиков М. Е., Грудинин С. В.
'''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.
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.
'''Публикация''':
'''Публикация''':
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Ryazanov A., Karasikov M., Grudinin S. Inverse Protein Folding Problem via Quadratic Programming, принята к публикации в сборнике трудов конференции ИТиС 2016.
Ryazanov A., Karasikov M., Grudinin S. Inverse Protein Folding Problem via Quadratic Programming, принята к публикации в сборнике трудов конференции ИТиС 2016.
'''Доклады''':
'''Доклады''':
 +
Ryazanov A., Karasikov M., Grudinin S. Inverse Protein Folding Problem via Quadratic Programming, Традиционная молодежная Школа "Управления, информация и оптимизация".
Ryazanov A., Karasikov M., Grudinin S. Inverse Protein Folding Problem via Quadratic Programming, Традиционная молодежная Школа "Управления, информация и оптимизация".
'''Гранты''':
'''Гранты''':
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РФФИ 16-37-00111
РФФИ 16-37-00111

Версия 10:53, 19 сентября 2016

Рязанов Андрей Владимирович

МФТИ, ФУПМ

Кафедра "Интеллектуальные системы"

Направление "Интеллектуальный анализ данных"

andrei.ryazanov@phystech.edu

Отчет о научно-исследовательской работе

Задача обратного фолдинга белка

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. Публикация:

Ryazanov A., Karasikov M., Grudinin S. Inverse Protein Folding Problem via Quadratic Programming, принята к публикации в сборнике трудов конференции ИТиС 2016.

Доклады:

Ryazanov A., Karasikov M., Grudinin S. Inverse Protein Folding Problem via Quadratic Programming, Традиционная молодежная Школа "Управления, информация и оптимизация".

Гранты:

РФФИ 16-37-00111

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