[Molecular Dynamics Simulations of Self-organization of the Structure of Model Biomimetic Polymers].
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.
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D040761:Biomimetic Materials / Q000737:chemistry*; D008956:Models, Chemical; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D011108:Polymers / Q000737:chemistry*; D013816:Thermodynamics; D013997:Time Factors
D011108:Polymers