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Conference publicationsAbstractsXXI conferenceNumerical modeling of packaging of proteinUral Federal University named after the first President of Russia B.N.Yeltsin, the Russian Federation, 620002, Ekaterinburg, Mira street, 21, 8(343)375-94-97, infinityziff@gmail.com; 8(343)375-93-49, melkikh2008@rambler.ru 1 pp. (accepted)Despite a big amount of publication, the problem of protein folding, which is called «Levinthal's paradox» is not solved up to now (for example [1]). The problem is that protein folding must take a lot of time exponentially, however the experimental time take only a fractions of seconds. Software environment, called as «Cubes3D», is worked out on platform Microsoft .NET Framework 3.5 in environment of Microsoft Visual C# 2010 Express Edition in C# language for computational modeling of process of two-component molecules folding in this paper. The environment gives the opportunity to visualize the process of folding in three-dimensional space. Embodied in «Cubes3D», the methodology of folding (of coming to native conformation) of two-component (consisted of two different types of monomers) three-dimensional system is developed. As a result of carrying out more than 45 000 experiments with help of «Cubes3D» with variation of entry parameters - optimal (in meaning of the fastest achievement of native eventual conformations) value of likelihood of monomers’ interaction (connected with energy of their interaction) and probability of coming to native eventual conformations under these optimal value of likelihood were defined; - average times of coming of initial examined configurations to set of native eventual conformations were defined. One of the most important results of modeling is the fact, that even optimum set of parameters of monomers’ interaction doesn’t give us the opportunity to achieve native configuration with a probability more than 10 percentages. The received result means, that Levinthal's paradox is still unsolved.
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