Relaxation Folding and the Principle of the Minimum Rate of Energy Dissipation for Conformational Motions in a Viscous Medium

Shaitan, K.V.; Lozhnikov, M.A.; Kobelkov, G.M.

Авторы: Shaitan K.V., Lozhnikov M.A., Kobelkov G.M.
Журнал: Biophysics
Том: 61
Номер: 4
Год издания: 2016
Издательство: Maik Nauka/Interperiodica Publishing
Местоположение издательства: Russian Federation
Первая страница: 531
Последняя страница: 538
DOI: 10.1134/S0006350916040205
Аннотация: Translated from Russian Abstract—A numerical simulation of the folding of a model polymer chain of 50 units with valence bonds of a fixed length and fixed valence angle values has been performed using the strong friction approximation. The rate of energy dissipation in the system has been analyzed for conformational motions along a trajectory determined by the equations of mechanics and the trajectories characterized by random and variable deviations from the mechanical path. The validity of the principle of the minimum average rate of the energy dissipation for the conformational relaxation of a macromolecule in a viscous medium has been demonstrated. A profile of the relaxation energy funnel for the folding of a macromolecular chain has been constructed. Slow and rapid stages of folding could be distinguished in the energy funnel profile; the final state was separated from the nearest conformations of the folded chain by an energy gap. Keywords: principle of minimum rate of energy dissipation, conformational relaxation in a viscous medium, correlation of conformational motions, energy funnel, folding dynamics DOI: 10.1134/S0006350916040205
Добавил в систему: Шайтан Константин Вольдемарович

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Relaxation Folding and the Principle of the Minimum Rate of Energy Dissipation for Conformational Motions in a Viscous Mediumстатья

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