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Cognitive and regulatory processes in organism are ensured by the functioning of several different network systems — neural, endocrine, immune, and gene ones. These systems are, however, closely related and form a single integrated neurogenohumoral cognitive-regulatory dynamic system of organism. A review of publications is given which shows that it is possible to associate with this dynamic system a corresponding Lyapunov function (energy function, potential function) and that analyzing this function allows, due to its geometrical insight, to easily discover a set of general properties of cognitive and regulatory functioning of organism.

In present work we used the methods of molecular dynamics simulations and quantum chemistry to study the concept, according to which aspartic and glutamic residues play a key role in initiation of helix formation in oligopeptides. It has been shown, that the first turn of the alpha-helix can be organized from various amino acid sequences with Asp and Glu residues on the N-terminus. Thermodynamic properties of such a process were analyzed. The obtained results do not interfere with known experimental and statistical data and they substantially elaborate present views on the processes of early peptide folding stages.

Recently we have developed a new method for studying DNA based on ultrasound - induced cleavage of DNA sugar-phosphate backbone. Relative cleavage rates of the phosphodiester bonds in all 16 dinucleotides have been determined. The increased amount of data sampling (of more than 20 000 nucleotides) made it also possible to obtain cleavage rates in all 256 possible tetranucleotides. These values quantitatively characterize sequence effects on conformational dynamics of DNA sugar phosphate backbone. Same type of DNA heterogeneity have been discovered and studied using its chemical cleavage induced by various chemical agents and DNAse I. The presence of essential heterogeneity in structural properties of DNA might be a key for physical mapping of the genomes, i.e. determining the structural profiles being responsible for DNA recognition by gene expression regulation machinery.

The problem has been considered, to what extent the kinetic models of cellular metabolism fit the matter which they describe. Foundations of stoichiometry of the whole metabolism and its large regions have been stated. A bioenergetic representation of stoichiometry based on a universal unit of chemical compound reductivity, viz., redoxon, has been described. Equations of mass-energy balance (bioenergetic variant of stoichiometry) have been derived for metabolic flows including those of protons possessing high electrochemical potential μ_H⁺, and high-energy compounds. Interrelations have been obtained which determine the biomass yield, rate of uptake of energy source for cell growth and other important physiological quantities as functions of biochemical characteristics of cellular energetics. The maximum biomass energy yield values have been calculated for different energy sources utilized by cells. These values coincide with those measured experimentally.

The numerical model of sedimentation and suspension filtration is proposed in this paper. The model is based on dynamic variant of discrete element method. This model represents the particles behavior on microand meso-scales: pores, arches, flocks formation. In addition, the proposed model qualitatively reproduces macro phenomenon: sedimentation of particle layer, slow shrinkage of the layer, sealing of the layer under its own weight of the particles and the external applied force.

Computer simulation of plastic deformation of FCC copper nanocrystal in the process of uniaxial tension in a direction [001] is performed by methods of molecular dynamics and a static relaxation. It is shown that thermoelastic martensite transformation is responsible for plastic deformation, FCC lattice is reconstructed into HCP lattice. Orientation relationship of contacting phases is identified.

The work discusses the methodological basis and problems of modeling of world dynamics. Outlines approaches to the construction of a new simulation model of global development and the results of the simulation. The basis of the model building is laid empirical approach which based on the statistical analysis of the main socio-economic indicators. On the basis of this analysis identified the main variables. Dynamic equations (in continuous differential form) were written for these variables. Dependencies between variables were selected based on the dynamics of indicators in the past and on the basis of expert assessments, while econometric techniques were used, based on regression analysis. Calculations have been performed for the resulting dynamic equations system, the results are presented in the form of a trajectories beam for those indicators that are directly observable, and for which statistics are available. Thus, it is possible to assess the scatter of the trajectories and understand the predictive capability of this model.

Based on modified rescaled range scale computation algorithm, the technique of Hurst exponent and its characteristic time estimation is proposed. The approach of increase the accuracy and simplification automatic Hurst exponent calculation is developed. The Hurst exponent and characteristic time is calculated for power time sets of speech signals with various motor pathologies (aphasias and dysarthrias). Results is statistically analyzed, the correlation between Hurst exponent and characteristic time is estimated.

By method of molecular dynamics investigated the interaction of nonlinear localized modes with bivacancies Pt crystal Pt₃Al. Identified dependences of the lifetime of the nonlinear localized modes from the initial temperature of the crystal model, the initial atom Al deviation from its equilibrium position, as well as the distance to the introduced bivacancy Pt in (111) plane of the crystal.

It is known that in the native state the DNA molecule always contains some amount of locally unwound regions, often called the open states of DNA. It is believed that these states play an important role in DNA-protein recognition and that the study of the open states dynamics may shed further light on the mechanisms of regulation of transcription and replication. In this paper we consider the effect of the thermostat on the movement of the open states in the artificial sequence consisting of four homogeneous regions. We construct the energetic profile of the sequence and investigate the trajectories of the movement of the open states under the action of a random force.