Материал из MachineLearning.

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