Bio - membranas: una aproximación vía simulaciones computacionales

Abstract

The study of the mechanical properties of biomembranes is a subject of great interest today, in many scientific and technological areas, as bionanotechnology and biomedicine, among others. The main problems is centered in the transport of molecules across these systems and the effect causing the movement of these molecules therein. However, abordad and determine the operation within the biomembrane, is no easy task, because the parameters for a physical biomolecular system could eventually vary to a large extent, and even more so when this property is crucial in the transport processes biological. Laboratory tools allow recreate observable systems obey a certain scale (macroscopic) for proper interpretation of the manifestation of nature, so that it can interpret and abstract information from the system. However, when you want to experience extreme conditions, whether in temperature, volume or pressure with biomolecular system, the lab falls short of the sense in the analysis can be done practically would be useless because the information yielded by measuring instruments can not be satisfied for such conditions. It is at this point that the molecular dynamics designed exclusively for the use of Newtonian equations of motion for systems with hundreds to millions of particles, which are governed by these equations and graphics displays perfectly exploring a computational simulation. The analyzing system is a biomembrane comprising DPPC lipid type, in which the mechanical properties are studied and thermodynamic behavior NPT type assemblies. At work obtained graphs corresponding to T, V, PV, where optimum thermodynamic and biophysical behavior is observed.