[Molecular Dynamics Simulations of Self-organization of the Structure of Model Biomimetic Polymers].

Abstract

By using the molecular dynamics method the problem of macromolecules' folding into spatial structures is examined. The freely jointed polymer chain with strong covalent bonds where van-der-Waals forces act between the units of the chain is considered. Conditions for the formation of different spatial structures resembling the structures called alpha-helices, beta-sheets and double helices found in biomolecular systems are determined.