The molecular dynamics method has been applied to investigate the conformational behavior of biologically important chiral molecules of cholesterol and ergosterol. The formation of strings in the solution of cholesterol in methanol and the lack of strings in solutions of ergosterol in methanol has been experimentally detected. It was shown that the intermolecular dynamics in the molecule has a significant impact on the potential of structure formation. We proposed alternative explanation of the functional significance of cholesterol, apparently associated with the formation of interconnect structures outside the membrane as the biological feasibility of finding ergosterol in non-switched cells of fungi and cholesterol in the switching cells of macroorganisms.