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Despite the widespread use of cancer chemotherapy drugs, the molecular mechanisms of action of many of them remain unclear. Some of these drugs, such as taxol, are known to affect the dynamics of microtubule assembly and stop the process of cell division in prophase-prometaphase. Recently, new spatial structures of microtubules and individual tubulin oligomers have emerged associated with various regulatory proteins and cancer chemotherapy drugs. However, knowledge of the spatial structure in itself does not provide information about the mechanism of action of drugs.

In this work, we applied the molecular dynamics method to study the behavior of taxol-bound tubulin oligomers and used our previously developed method for analyzing the conformation of tubulin protofilaments, based on the calculation of modified Euler angles. Recent structures of microtubule fragments have demonstrated that tubulin protofilaments bend not in the radial direction, as many researchers assume, but at an angle of approximately 45◦ from the radial direction. However, in the presence of taxol, the bending direction shifts closer to the radial direction. There was no significant difference between the mean bending and torsion angles of the studied tubulin structures when bound to the various natural regulatory ligands, guanosine triphosphate and guanosine diphosphate. The intra-dimer bending angle was found to be greater than the interdimer bending angle in all analyzed trajectories. This indicates that the bulk of the deformation energy is stored within the dimeric tubulin subunits and not between them. Analysis of the structures of the latest generation of tubulins indicated that the presence of taxol in the tubulin beta subunit pocket allosterically reduces the torsional rigidity of the tubulin oligomer, which could explain the underlying mechanism of taxol’s effect on microtubule dynamics. Indeed, a decrease in torsional rigidity makes it possible to maintain lateral connections between protofilaments, and therefore should lead to the stabilization of microtubules, which is what is observed in experiments. The results of the work shed light on the phenomenon of dynamic instability of microtubules and allow to come closer to understanding the molecular mechanisms of cell division.

In this article in the frameworks of the sine-Gordon mode we have calculated the dynamical characteristics of kinks and antikinks activated in the homogeneous polynucleotide chains each if them contains only one of the types of the bases: adenines, thymines, guanines or cytosines. We have obtained analytical formulas and constructed the graphs for the kink and antikink profiles and for their energy density in the 2D- and 3D-dimension. Mass of kinks and antikinks, their energy of rest and their size have been estimated. The trajectories of kink and antikink motion in the phase space have been calculated in the 2D- and 3D-dimension.

In the development of the previously obtained result on modeling the dynamics of vegetation cover, due to variations in the temperature background, a new scheme for the interval analysis of the dynamics of floristic images of formations is presented in the case when the parameter of the response rate of the model of the dynamics of each counting plant species is set by the interval of scatter of its possible values. The detailed description of the functional parameters of macromodels of biodiversity, desired in fundamental research, taking into account the essential reasons for the observed evolutionary processes, may turn out to be a problematic task. The use of more reliable interval estimates of the variability of functional parameters “bypasses” the problem of uncertainty in the primary assessment of the evolution of the phyto-resource potential of the developed controlled territories. The solutions obtained preserve not only a qualitative picture of the dynamics of species diversity, but also give a rigorous, within the framework of the initial assumptions, a quantitative assessment of the degree of presence of each plant species. The practical significance of two-sided estimation schemes based on the construction of equations for the upper and lower boundaries of the trajectories of the scatter of solutions depends on the conditions and measure of proportional correspondence of the intervals of scatter of the initial parameters with the intervals of scatter of solutions. For dynamic systems, the desired proportionality is not always ensured. The given examples demonstrate the acceptable accuracy of interval estimation of evolutionary processes. It is important to note that the constructions of the estimating equations generate vanishing intervals of scatter of solutions for quasi-constant temperature perturbations of the system. In other words, the trajectories of stationary temperature states of the vegetation cover are not roughened by the proposed interval estimation scheme. The rigor of the result of interval estimation of the species composition of the vegetation cover of formations can become a determining factor when choosing a method in the problems of analyzing the dynamics of species diversity and the plant potential of territorial systems of resource-ecological monitoring. The possibilities of the proposed approach are illustrated by geoinformation images of the computational analysis of the dynamics of the vegetation cover of the Yamal Peninsula and by the graphs of the retro-perspective analysis of the floristic variability of the formations of the landscapelithological group “Upper” based on the data of the summer temperature background of the Salehard weather station from 2010 to 1935. The developed indicators of floristic variability and the given graphs characterize the dynamics of species diversity, both on average and individually in the form of intervals of possible states for each species of plant.

The article describes a model of a human in the informational economy and demonstrates the multicriteria optimizational approach to the metric analysis of model-generated data. The traditional approach using the identification and study involves the model’s identification by time series and its further prediction. However, this is not possible when some variables are not explicitly observed and only some typical borders or population features are known, which is often the case in the social sciences, making some models pure theoretical. To avoid this problem, we propose a method of metric data analysis (MMDA) for identification and study of such models, based on the construction and analysis of the Kolmogorov – Shannon metric nets of the general population in a multidimensional space of social characteristics. Using this method, the coefficients of the model are identified and the features of its phase trajectories are studied. In this paper, we are describing human according to his role in information processing, considering his awareness and cognitive abilities. We construct two lifetime indices of human capital: creative individual (generalizing cognitive abilities) and productive (generalizing the amount of information mastered by a person) and formulate the problem of their multi-criteria (two-criteria) optimization taking into account life expectancy. This approach allows us to identify and economically justify the new requirements for the education system and the information environment of human existence. It is shown that the Pareto-frontier exists in the optimization problem, and its type depends on the mortality rates: at high life expectancy there is one dominant solution, while for lower life expectancy there are different types of Paretofrontier. In particular, the Pareto-principle applies to Russia: a significant increase in the creative human capital of an individual (summarizing his cognitive abilities) is possible due to a small decrease in the creative human capital (summarizing awareness). It is shown that the increase in life expectancy makes competence approach (focused on the development of cognitive abilities) being optimal, while for low life expectancy the knowledge approach is preferable.