Lipid thermodynamics : melting is molecular

Sailaja Krishnamurty; Milen Stefanov; Tzonka Mineva; Sylvie Begu; Jean Marie Devoisselle; Annick Goursot; Rui Zhu; Dennis R. Salahub

arXiv · 0806.0822

Lipid thermodynamics : melting is molecular

Sailaja Krishnamurty·Milen Stefanov·Tzonka Mineva·Sylvie Begu·Jean Marie Devoisselle·Annick Goursot·Rui Zhu·Dennis R. Salahub

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Abstract

This computational experiment demonstrates that chain melting in lipids is a molecular process. BOMD is certainly the best method to reproduce such dynamics properties, since the electronic contributions to the various molecular structures sampled by the classical nuclear dynamics are described accurately.

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Sailaja Krishnamurty, Milen Stefanov, Tzonka Mineva, Sylvie Begu, Jean Marie Devoisselle, Annick Goursot, Rui Zhu, Dennis R. Salahub. 2008-06-04. Lipid thermodynamics : melting is molecular. https://arxiv.org/abs/0806.0822

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