Результаты поиска по 'structural analysis':
Найдено статей: 100
  1. Fedorov V.A., Kholina E.G., Kovalenko I.B.
    Molecular dynamics of tubulin protofilaments and the effect of taxol on their bending deformation
    Computer Research and Modeling, 2024, v. 16, no. 2, pp. 503-512

    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.

  2. varshavsky L.Eug.
    Study of the dynamics of the structure of oligopolistic markets with non-market opposition parties
    Computer Research and Modeling, 2021, v. 13, no. 1, pp. 219-233

    The article examines the impact of non-market actions of participants in oligopolistic markets on the market structure. The following actions of one of the market participants aimed at increasing its market share are analyzed: 1) price manipulation; 2) blocking investments of stronger oligopolists; 3) destruction of produced products and capacities of competitors. Linear dynamic games with a quadratic criterion are used to model the strategies of oligopolists. The expediency of their use is due to the possibility of both an adequate description of the evolution of markets and the implementation of two mutually complementary approaches to determining the strategies of oligopolists: 1) based on the representation of models in the state space and the solution of generalized Riccati equations; 2) based on the application of operational calculus methods (in the frequency domain) which owns the visibility necessary for economic analysis.

    The article shows the equivalence of approaches to solving the problem with maximin criteria of oligopolists in the state space and in the frequency domain. The results of calculations are considered in relation to a duopoly, with indicators close to one of the duopolies in the microelectronic industry of the world. The second duopolist is less effective from the standpoint of costs, though more mobile. Its goal is to increase its market share by implementing the non-market methods listed above.

    Calculations carried out with help of the game model, made it possible to construct dependencies that characterize the relationship between the relative increase in production volumes over a 25-year period of weak and strong duopolists under price manipulation. Constructed dependencies show that an increase in the price for the accepted linear demand function leads to a very small increase in the production of a strong duopolist, but, simultaneously, to a significant increase in this indicator for a weak one.

    Calculations carried out with use of the other variants of the model, show that blocking investments, as well as destroying the products of a strong duopolist, leads to more significant increase in the production of marketable products for a weak duopolist than to a decrease in this indicator for a strong one.

  3. Drobotenko M.I., Nevecherya A.P.
    Forecasting the labor force dynamics in a multisectoral labor market
    Computer Research and Modeling, 2021, v. 13, no. 1, pp. 235-250

    The article considers the problem of forecasting the number of employed and unemployed persons in a multisectoral labor market using a balance mathematical model of labor force intersectoral dynamics.

    The balance mathematical model makes it possible to calculate the values of intersectoral dynamics indicators using only statistical data on sectoral employment and unemployment provided by the Federal State Statistics Service. Intersectoral dynamics indicators of labor force calculated for several years in a row are used to build trends for each of these indicators. The found trends are used to calculation of forecasted intersectoral dynamics indicators of labor force. The sectoral employment and unemployment of researched multisectoral labor market is forecasted based on values these forecasted indicators.

    The proposed approach was applied to forecast the employed persons in the economic sectors of the Russian Federation in 2011–2016. The following types of trends were used to describe changes of intersectoral dynamics indicators values: linear, non-linear, constant. The procedure for selecting trends is clearly demonstrated by the example of indicators that determine the labor force movements from the “Transport and communications” sector to the “Healthcare and social services” sector, as well as from the “Public administration and military security, social security” sector to the “Education” sector.

    Several approaches to forecasting was compared: a) naive forecast, within which the labor market indicators was forecasted only using a constant trend; b) forecasting based on a balance model using only a constant trend for all intersectoral dynamics indicators of labor force; c) forecasting directly by the number employed persons in economic sectors using the types of trends considered in the article; d) forecasting based on a balance model with the trends choice for each intersectoral dynamics indicators of labor force.

    The article shows that the use of a balance model provides a better forecast quality compared to forecasting directly by the number of employed persons. The use of trends in intersectoral dynamics indicators improves the quality of the forecast. The article also provides analysis examples of the multisectoral labor market in the Russian Federation. Using the balance model, the following information was obtained: the labor force flows distribution outgoing from concrete sectors by sectors of the economy; the sectoral structure of the labor force flows ingoing in concrete sectors. This information is not directly contained in the data provided by the Federal State Statistics Service.

  4. Malkov S.Yu., Shpyrko O.A.
    Features of social interactions: the basic model
    Computer Research and Modeling, 2023, v. 15, no. 6, pp. 1673-1693

    The paper considers the basic model of competitive interactions and its use for the analysis and description of social processes. The peculiarity of the model is that it describes the interaction of several competing actors, while actors can vary the strategy of their actions, in particular, form coalitions to jointly counter a common enemy. As a result of modeling, various modes of competitive interaction were identified, their classification was conducted, and their features were described. In the course of the study, the attention is paid to the so-called “rough” (according to A.A. Andronov) cases of the implementation of competitive interaction, which until now have rarely been considered in the scientific literature, but are quite common in real life. Using a basic mathematical model, the conditions for the implementation of various modes of competitive interactions are considered, the conditions for the transition from one mode to another are determined, examples of the implementation of these modes in the economy, social and political life are given. It is shown that with a relatively low level of competition, which is non-antagonistic in nature, competition can lead to an increase in the activity of interacting actors and to overall economic growth. Moreover, in the presence of expanding resource opportunities (as long as such opportunities remain), this growth may have a hyperbolic character. With a decrease in resource capabilities and increased competition, there is a transition to an oscillatory mode, when weaker actors unite to jointly counteract stronger ones. With a further decrease in resource opportunities and increased competition, there is a transition to the formation of stable hierarchical structures. At the same time, the model shows that at a certain moment there is a loss of stability, the system becomes “rough” according to A.A. Andronov and sensitive to fluctuations in parameter changes. As a result, the existing hierarchies may collapse and be replaced by new ones. With a further increase in the intensity of competition, the actor-leader completely suppresses his opponents and establishes monopolism. Examples from economic, social, and political life are given, illustrating the patterns identified on the basis of modeling using the basic model of competition. The obtained results can be used in the analysis, modeling and forecasting of socioeconomic and political processes.

  5. Khavinson M.J., Losev A.S., Kulakov M.P.
    Modeling the number of employed, unemployed and economically inactive population in the Russian Far East
    Computer Research and Modeling, 2021, v. 13, no. 1, pp. 251-264

    Studies of the crisis socio-demographic situation in the Russian Far East require not only the use of traditional statistical methods, but also a conceptual analysis of possible development scenarios based on the synergy principles. The article is devoted to the analysis and modeling of the number of employed, unemployed and economically inactive population using nonlinear autonomous differential equations. We studied a basic mathematical model that takes into account the principle of pair interactions, which is a special case of the model for the struggle between conditional information of D. S. Chernavsky. The point estimates for the parameters are found using least squares method adapted for this model. The average approximation error was no more than 5.17%. The calculated parameter values correspond to the unstable focus and the oscillations with increasing amplitude of population number in the asymptotic case, which indicates a gradual increase in disparities between the employed, unemployed and economically inactive population and a collapse of their dynamics. We found that in the parametric space, not far from the inertial scenario, there are domains of blow-up and chaotic regimes complicating the ability to effectively manage. The numerical study showed that a change in only one model parameter (e.g. migration) without complex structural socio-economic changes can only delay the collapse of the dynamics in the long term or leads to the emergence of unpredictable chaotic regimes. We found an additional set of the model parameters corresponding to sustainable dynamics (stable focus) which approximates well the time series of the considered population groups. In the mathematical model, the bifurcation parameters are the outflow rate of the able-bodied population, the fertility (“rejuvenation of the population”), as well as the migration inflow rate of the unemployed. We found that the transition to stable regimes is possible with the simultaneous impact on several parameters which requires a comprehensive set of measures to consolidate the population in the Russian Far East and increase the level of income in terms of compensation for infrastructure sparseness. Further economic and sociological research is required to develop specific state policy measures.

  6. Moiseev N.A., Nazarova D.I., Semina N.S., Maksimov D.A.
    Changepoint detection on financial data using deep learning approach
    Computer Research and Modeling, 2024, v. 16, no. 2, pp. 555-575

    The purpose of this study is to develop a methodology for change points detection in time series, including financial data. The theoretical basis of the study is based on the pieces of research devoted to the analysis of structural changes in financial markets, description of the proposed algorithms for detecting change points and peculiarities of building classical and deep machine learning models for solving this type of problems. The development of such tools is of interest to investors and other stakeholders, providing them with additional approaches to the effective analysis of financial markets and interpretation of available data.

    To address the research objective, a neural network was trained. In the course of the study several ways of training sample formation were considered, differing in the nature of statistical parameters. In order to improve the quality of training and obtain more accurate results, a methodology for feature generation was developed for the formation of features that serve as input data for the neural network. These features, in turn, were derived from an analysis of mathematical expectations and standard deviations of time series data over specific intervals. The potential for combining these features to achieve more stable results is also under investigation.

    The results of model experiments were analyzed to compare the effectiveness of the proposed model with other existing changepoint detection algorithms that have gained widespread usage in practical applications. A specially generated dataset, developed using proprietary methods, was utilized as both training and testing data. Furthermore, the model, trained on various features, was tested on daily data from the S&P 500 index to assess its effectiveness in a real financial context.

    As the principles of the model’s operation are described, possibilities for its further improvement are considered, including the modernization of the proposed model’s structure, optimization of training data generation, and feature formation. Additionally, the authors are tasked with advancing existing concepts for real-time changepoint detection.

  7. Guskov V.P., Gushchanskiy D.E., Kulabukhova N.V., Abrahamyan S.A., Balyan S.G., Degtyarev A.B., Bogdanov A.V.
    An interactive tool for developing distributed telemedicine systems
    Computer Research and Modeling, 2015, v. 7, no. 3, pp. 521-527

    Getting a qualified medical examination can be difficult for people in remote areas because medical staff available can either be inaccessible or it might lack expert knowledge at proper level. Telemedicine technologies can help in such situations. On one hand, such technologies allow highly qualified doctors to consult remotely, thereby increasing the quality of diagnosis and plan treatment. On the other hand, computer-aided analysis of the research results, anamnesis and information on similar cases assist medical staff in their routine activities and decision-making.

    Creating telemedicine system for a particular domain is a laborious process. It’s not sufficient to pick proper medical experts and to fill the knowledge base of the analytical module. It’s also necessary to organize the entire infrastructure of the system to meet the requirements in terms of reliability, fault tolerance, protection of personal data and so on. Tools with reusable infrastructure elements, which are common to such systems, are able to decrease the amount of work needed for the development of telemedicine systems.

    An interactive tool for creating distributed telemedicine systems is described in the article. A list of requirements for the systems is presented; structural solutions for meeting the requirements are suggested. A composition of such elements applicable for distributed systems is described in the article. A cardiac telemedicine system is described as a foundation of the tool

    Views (last year): 3. Citations: 4 (RSCI).
  8. The article discusses the problem of the influence of the research goals on the structure of the multivariate model of regression analysis (in particular, on the implementation of the procedure for reducing the dimension of the model). It is shown how bringing the specification of the multiple regression model in line with the research objectives affects the choice of modeling methods. Two schemes for constructing a model are compared: the first does not allow taking into account the typology of primary predictors and the nature of their influence on the performance characteristics, the second scheme implies a stage of preliminary division of the initial predictors into groups, in accordance with the objectives of the study. Using the example of solving the problem of analyzing the causes of burnout of creative workers, the importance of the stage of qualitative analysis and systematization of a priori selected factors is shown, which is implemented not by computing means, but by attracting the knowledge and experience of specialists in the studied subject area. The presented example of the implementation of the approach to determining the specification of the regression model combines formalized mathematical and statistical procedures and the preceding stage of the classification of primary factors. The presence of this stage makes it possible to explain the scheme of managing (corrective) actions (softening the leadership style and increasing approval lead to a decrease in the manifestations of anxiety and stress, which, in turn, reduces the severity of the emotional exhaustion of the team members). Preclassification also allows avoiding the combination in one main component of controlled and uncontrolled, regulatory and controlled feature factors, which could worsen the interpretability of the synthesized predictors. On the example of a specific problem, it is shown that the selection of factors-regressors is a process that requires an individual solution. In the case under consideration, the following were consistently used: systematization of features, correlation analysis, principal component analysis, regression analysis. The first three methods made it possible to significantly reduce the dimension of the problem, which did not affect the achievement of the goal for which this task was posed: significant measures of controlling influence on the team were shown. allowing to reduce the degree of emotional burnout of its participants.

  9. Timiryanova V.M., Lakman I.A., Larkin M.M.
    Retail forecasting on high-frequency depersonalized data
    Computer Research and Modeling, 2023, v. 15, no. 6, pp. 1713-1734

    Technological development determines the emergence of highly detailed data in time and space, which expands the possibilities of analysis, allowing us to consider consumer decisions and the competitive behavior of enterprises in all their diversity, taking into account the context of the territory and the characteristics of time periods. Despite the promise of such studies, they are currently limited in the scientific literature. This is due to the range of problems, the solution of which is considered in this paper. The article draws attention to the complexity of the analysis of depersonalized high-frequency data and the possibility of modeling consumption changes in time and space based on them. The features of the new type of data are considered on the example of real depersonalized data received from the fiscal data operator “First OFD” (JSC “Energy Systems and Communications”). It is shown that along with the spectrum of problems inherent in high-frequency data, there are disadvantages associated with the process of generating data on the side of the sellers, which requires a wider use of data mining tools. A series of statistical tests were carried out on the data under consideration, including a Unit-Root Test, test for unobserved individual effects, test for serial correlation and for cross-sectional dependence in panels, etc. The presence of spatial autocorrelation of the data was tested using modified tests of Lagrange multipliers. The tests carried out showed the presence of a consistent correlation and spatial dependence of the data, which determine the expediency of applying the methods of panel and spatial analysis in relation to high-frequency data accumulated by fiscal operators. The constructed models made it possible to substantiate the spatial relationship of sales growth and its dependence on the day of the week. The limitation for increasing the predictive ability of the constructed models and their subsequent complication, due to the inclusion of explanatory factors, was the lack of open access statistics grouped in the required detail in time and space, which determines the relevance of the formation of high-frequency geographically structured data bases.

  10. Dobrynin V.N., Filozova I.A.
    Cataloging technology of information fund
    Computer Research and Modeling, 2015, v. 7, no. 3, pp. 661-673

    The article discusses the approach to the improvement of information processing technology on the basis of logical-semantic network (LSN) Question–Answer–Reaction aimed at formation and support of the catalog service providing efficient search of answers to questions.

    The basis of such a catalog service are semantic links, reflecting the logic of presentation of the author's thoughts within the framework this publication, theme, subject area. Structuring and support of these links will allow working with a field of meanings, providing new opportunities for the study the corps of digital libraries documents. Cataloging of the information fund includes: formation of lexical dictionary; formation of the classification tree for several bases; information fund classification for question–answer topics; formation of the search queries that are adequate classification trees the question–answer; automated search queries on thematic search engines; analysis of the responses to queries; LSN catalog support during the operational phase (updating and refinement of the catalog). The technology is considered for two situations: 1) information fund has already been formed; 2) information fund is missing, you must create it.

    Views (last year): 3.
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