Molecular Dynamics Simulations of Self-organization of the Structure of Model Biomimetic Polymers
Shaitan, K.V.; Fedik, I.V.
Biofizika 60(3): 421-427
2015
ISSN/ISBN: 0006-3029 PMID: 26349205 Document Number: 685019
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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