Yu. V. Kordonskaya, V. I. Timofeev, M. A. Marchenkova, Yu. V. Pisarevsky, S. Yu. Silvestrova, Yu. A. Dyakova, M. V. Kovalchuk
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引用次数: 0
Abstract
The stability of the precursor cluster (hexamer) of the thermolysin crystal over a wide temperature range (10–90°C) has been estimated by the molecular dynamics method. The simulation results showed that, with an increase in temperature, the stability of the hexamer generally decreases; however, the hexamer does not dissociate at any of the investigated temperatures. At a temperature of 60°C, an increase in the hexamer stability has been observed. This temperature is close to the temperature of maximum enzymatic activity of thermolysin (70°C). It is suggested, based on the analysis of the results, that the crystallization of thermolysin can be carried out at 60°C.
期刊介绍：
Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.
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