[Model of ion diffusion in synaptic cleft based on stochastical integration of langevin equation at dielectric friction approximation].

Changes in the state of the central nervous system, leading to the development of pathological processes, are directly associated with a state of neurons, particularly with their conductivity in synaptic cleft region. The synaptic flexibility plays a key role in environmental adaptation, which manifests in dynamic changes of synaptic properties. However more attention was paid rather to their functional, than physical-chemical properties.

Conductance simulation of the purinergic P2X2, P2X4, and P2X7 ionic channels using a combined Brownian dynamics and molecular dynamics approach.

This paper investigates the application of an original combined approach of molecular and Brownian dynamic methods with quantum chemistry calculations for modeling the process of conductance of ion channels using purinergic P2X family receptors P2X2, P2X4, and P2X7 as a case study. A simplified model of the ionic channel in the lipid bilayer has been developed. A high level of conductance (30 pS) of P2X2 ionic channel together with the key role of Asp349 in forming the selectivity filter of P2X2 has been shown by using this approach.