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Title
| - Thermal Stability of the Secondary Structure of Poly(α,l-glutamate) inSelf-Assembled Complexes as Studied by Molecular Dynamics in ChloroformSolution
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Abstract
| - The thermal stability of the self-assembled complexes formed by alkyltrimethylammonium surfactants and poly(α,l-glutamate) is investigated in dilute chloroform solution by molecular dynamics simulations. By applying temperatures ranging from 300 to 500 K, we observed an extraordinary stability of the α-helix adopted by the polypeptide during a total of 48 ns. The multiple electrostatic interactions formed between the surfactant chains and the polyanion play a crucial role in this stability since they are responsible for the inaccessibility of the solvent molecules to the helix even at high temperatures.
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