Computer simulation of conformational behaviour of human and rat/mouse hemokinin-1 molecules

Abstract

The conformational properties of biologically active human and mouse/rat hemokinin-1 peptide molecules have been investigated by computer modeling methods. It is showed that both molecule can exist in several stable conformational states. The energy and geometrical parameters for each of low-energy conformations of molecules are obtained. The conformationally rigid and labile segments of both molecules were revealed.