Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins

The previous termprotecting effect of the osmolytenext term molecule taurine previous termagainst thermal denaturation of the proteinnext term Chimotripsin Inhibitor 2 was modelled using Molecular Dynamics simulations. The previous termproteinnext term was simulated in denaturing conditions at different taurine concentrations. Analysis of the molecular details of its behaviour shows that the protective previous termeffect of the osmolytenext term is concentration dependent. Moreover, the influence of taurine on the solvent structure was studied. A concentration dependent ordering previous termeffectnext term of taurine on water molecules emerges from solvent structure analysis and is well correlated to the previous termprotecting effectnext term observed. Based on these observations an interpretation of the osmoprotective previous termeffectnext term is proposed.