Abstract
The dynamics of octamers of two types, which form (via translation) a tetragonal lysozyme crystal lattice, has been simulated on a 100-ns path with and without a precipitant. It is shown that one of the octamers under study is stable in the presence of a precipitant, whereas the other octamer dissociates into components both in the presence and in the absence of a precipitant. The results obtained not only confirmed the results of previous measurements of lysozyme solutions with NaCl precipitant by small-angle X-ray neutron scattering but also made it possible to establish the type of the octamer forming in the crystallization solution.
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ACKNOWLEDGMENTS
This study was performed using equipment of the Shared Research Center “Complex for Modeling and Data Processing of Mega-Class Research Facilities” of the National Research Centre “Kurchatov Institute” (grant of the Ministry of Education and Science of the Russian Federation, identifier no. RFMEFI62117X0016), http://ckp.nrcki.ru/.
The study was supported in part by the Federal Agency for Scientific Organizations (contract no. 007-ГЗ/Ч3363/26) and the Russian Foundation for Basic Research (project nos. 16-29-14053 ofi_m and 18-32-00381 mol_a).
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Translated by Yu. Sin’kov
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Kordonskaya, Y.V., Timofeev, V.I., Dyakova, Y.A. et al. Study of the Behavior of Lysozyme Oligomers in Solutions by the Molecular Dynamics Method. Crystallogr. Rep. 63, 947–950 (2018). https://doi.org/10.1134/S1063774518060196
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DOI: https://doi.org/10.1134/S1063774518060196