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arXiv · 2212.05800

Quantifying Dynamical Heterogeneity Length Scales of Interface Water across Model Membrane Phase Transition

Sheeba Malik·Smarajit Karmakar·Ananya Debnath
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Abstract

All-atom molecular dynamics simulations of 1,2-dimyristoyl-sn-glycerol-3-phosphocholine lipid membranes reveal a membrane phase transition dictated drastic growth in the interface water (IW) heterogeneity length scales. It acts as an alternate probe to capture the ripple size of the membrane and follows an activated dynamical scaling with the relaxation time scale solely within the gel phase. The results quantify the mostly unknown correlations between the spatio-temporal scales of the IW and membranes at various phases under physiological and supercooled condition

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Sheeba Malik, Smarajit Karmakar, Ananya Debnath. 2022-12-12. Quantifying Dynamical Heterogeneity Length Scales of Interface Water across Model Membrane Phase Transition. https://doi.org/10.1063/5.0137727

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