Free energy relaxation of glycine, tryptophan and albumin molecules in the ionized aqueous solution: Computer analysis

Abstract

A comparative analysis of the free energy of alanine, tryptophan and albumin protein amino acids in the aqueous solutions of sodium chloride with different concentrations (ionization degree) has been carried out using the molecular computer modeling method. Some dependences of dynamic scenarios of the behavior of the mentioned energy on the concentration of ionizing reagent (the dissociating salt) in the solutions were obtained. Such information can be applied when designing the hybrid micro and nanoelectronic devices with built-in biomolecular objects, e. g. biochemical sensors, devices with microflow of liquids, for the molecular film preparation technology, etc.

Keywords

• proteins
• peptides
• hybrid biomolecular electronics
• computer modeling