Landscape of finite-temperature equilibrium behaviour of curvature-inducing proteins on a bilayer membrane explored using a linearized elastic free energy model |
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Authors: | Neeraj J Agrawal Joshua Weinstein |
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Institution: | 1. Department of Chemical and Biomolecular Engineering , Philadelphia, PA 19104, USA;2. Department of Bioengineering , University of Pennsylvania , Philadelphia, PA 19104, USA |
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Abstract: | Using a recently developed multiscale simulation methodology, we describe the equilibrium behaviour of bilayer membranes under the influence of curvature-inducing proteins using a linearized elastic free energy model. In particular, we describe how the cooperativity associated with a multitude of protein–membrane interactions and protein diffusion on a membrane-mediated energy landscape elicits emergent behaviour in the membrane phase. Based on our model simulations, we predict that, depending on the density of membrane-bound proteins and the degree to which a single protein molecule can induce intrinsic mean curvature in the membrane, a range of membrane phase behaviour can be observed including two different modes of vesicle-bud nucleation and repressed membrane undulations. A state diagram as a function of experimentally tunable parameters to classify the underlying states is proposed. |
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Keywords: | biophysics molecular dynamics Monte Carlo protein modeling membrane dynamics |
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