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Mechanical unfolding of two identical in structure but differ in their amino acid sequences immunoglobulinbinding domains of proteins L and G under the action of external forces have been investigating  using the method of molecular dynamics with explicit model of solvent. Mechanical characteristics of these proteins have been calculated. It has been shown that in the way of the mechanical unfolding of both proteins appear intermediate states. Calculations revealed three significantly different ways of mechanical unfolding of proteins L and G.

Methods for establishing standards of environmental quality by data of ecological monitoring are proposed. These are: methods of bioindication by indices of species diversity and size structure of communities, by indices of fish productivity; method for searching for reasons of environmental trouble and ranking them by their contribution into the trouble; methods for standardization of factors which are important as causes of environmental trouble.

We consider two possible computational methods of the interpretation of experimental data obtained by means of the magnetic force microscopy. These methods of macrospin distribution simulation and reconstruction can be used for research of magnetization reversal processes of nanodots in ordered 2D arrays of nanodots. New approaches to the development of high-performance superscale algorithms for parallel executing on a supercomputer clusters for solving direct and inverse task of the modeling of magnetic states, types of ordering, reversal processes of nanosystems with a collective behavior are proposed. The simulation results are consistent with experimental results.

An application of the invariant imbedding method to describe the interaction of 3D electromagnetic field with 2D photonic crystal of finite thickness, formed by a dielectric circular cylinder or square bars, is considered in this paper. Matrix coefficients of transmission and reflection for waves at different angles of incidence were calculated taking into account different types of polarization and non-coplanar diffraction.

The paper presents an optimization approach to microstructure simulation. Porosity function was optimized by numerical method, grain-size model was optimized by complex method based on criteria of model quality. Methods have been validated on examples. Presented new regression model of model quality. Actual application of proposed method is 3D reconstruction of core sample microstructure. Presented results suggest to prolongation of investigations. 

The number of papers addressing the forecasting of the infectious disease morbidity is rapidly growing due to accumulation of available statistical data. This article surveys the major approaches for the shortterm and the long-term morbidity forecasting. Their limitations and the practical application possibilities are pointed out. The paper presents the conventional time series analysis methods — regression and autoregressive models; machine learning-based approaches — Bayesian networks and artificial neural networks; case-based reasoning; filtration-based techniques. The most known mathematical models of infectious diseases are mentioned: classical equation-based models (deterministic and stochastic), modern simulation models (network and agent-based).

In this study the calculation of 1/2-wave transducer of longitudinal ultrasonic oscillations and one wave transducer of longitudinal-torsion ultrasonic oscillations were carried out by finite element method with use of Abaqus. Dimensions of the concentrator of longitudinal-torsional oscillations and frequency-amplitude characteristics of the transducers of longitudinal and longitudinal-torsional oscillations were defined by calculation. Application of ultrasonic longitudinal-torsional oscillations at tool during surface-strengthening treatment of details made of titanium will allow to reduce adhesion portion of friction in the contact zone. A comparison of results of finite-element calculation of frequency-amplitude characteristics with experimental ones were made and calculation error does not exceed 2.5 %.

Work is devoted to modeling instrumental errors of a laser beam diameter measurement using a method based on a lambertian transmissive screen. Super-Lorenz distribution was used as a model of the beam. To determine the effect of each parameter on the measurement error were performed computational experiments, results of which were approximated by analytic functions. There were obtained the errors depending on relative beam size, spatial non-uniformity of the transmission screen, lens distortion, physical vignetting, beam tilt, CCD spatial resolution, ADC resolution of a camera. There was shown that the error can be less then 1 %.

This article presents an analysis of the impact of the transcatheter prosthesis frame design features on the results of its implantation in the aortic root model. In this paper we analyzed the various approaches to the design of such structures, as well as modifications in order to improve their functional characteristics during the implantation. As a general method for obtaining the results of interaction of the objects was used finite element method with nonlinear materials description and analysis of the main parameters: the stress-strain state, radial and friction forces.

Investigation of logical deterministic cellular automata models of population dynamics allows to reveal detailed individual-based mechanisms. The search for such mechanisms is important in connection with ecological problems caused by overexploitation of natural resources, environmental pollution and climate change. Classical models of population dynamics have the phenomenological nature, as they are “black boxes”. Phenomenological models fundamentally complicate research of detailed mechanisms of ecosystem functioning. We have investigated the role of fecundity and duration of resources regeneration in mechanisms of population growth using four models of ecosystem with one species. These models are logical deterministic cellular automata and are based on physical axiomatics of excitable medium with regeneration. We have modeled catastrophic death of population arising from increasing of resources regeneration duration. It has been shown that greater fecundity accelerates population extinction. The investigated mechanisms are important for understanding mechanisms of sustainability of ecosystems and biodiversity conservation. Prospects of the presented modeling approach as a method of transparent multilevel modeling of complex systems are discussed.