Regensburg 2022 – scientific programme
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BP: Fachverband Biologische Physik
BP 2: Computational Biophysics and Neuroscience
BP 2.1: Talk
Monday, September 5, 2022, 09:30–09:45, H13
Non-ideality in lipid mixtures, a molecular dynamics study — •Lisa Berezovska1, Fabrice Thalmann1, and Raisa Kociurzynski2 — 1Institut Charles Sadron, CNRS and University of Strasbourg, 23 rue du Loess, F-67034 Strasbourg, France — 2Faculty of Biology, Albert-Ludwigs-University Freiburg, Schänzlestraße 1, 79104 Freiburg, Germany
Biological membranes are complex environments characterized by multicomponent lipid mixtures[1]. We investigate in this work binary lipid bilayers using the SPICA coarse-grained molecular dynamics model.
Adapting the Kirkwood-Buff theory of liquid mixtures [2] to finite wavelegth density fluctuations statistics, we compare various practical approaches for determining the interaction parameters in a theory of regular solution description of these numerical lipid mixtures.
[1] Ole G. Mouritsen, L. A. Bagatolli. Life as a matter of fat, Springer-Verlag GmbH, 2015
[2] A. Ben-Naim, Water and Aqueous Solutions: Introduction to a Molecular Theory, Plenum Press, 1974
[3] Lisa Berezovska, Raisa Kociurzynski, Fabrice Thalmann, in preparation