After irradiation of cancer cells in the ion beam therapy method the concentration of hydrogen peroxide in the cell medium grows significantly. But the role of hydrogen peroxide molecules in ion beam therapy has not been determined yet. We assume that interaction of peroxide molecules with DNA atomic groups can block the genetic information of the cancer cell and lead to its neutralization. To...
A modification of the principal component regression model is proposed for obtaining a fixed set of atomic charges (referred to as dipole-derived charges) optimized for reproducing the dipole moment of a conformationally rich $\\$ molecule, i.e., a molecule with multiple local minima on the potential energy surface. The method requires geometry of the conformers, their dipole moments and APT...
Modern technologies are increasingly turning to the issue of modeling nerve impulse transmission mechanisms to create artificial simulators. Despite the fact that the basic principles of the specialized contact zone between two neurons (chemical synapse) are known, there still a lot questions are open.
In this paper, we research the issue of building a physical model of the process of...
