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Membrane Remodeling Due to a Mixture of Multiple Types of Curvature Proteins

Kumar, G and Srivastava, A (2022) Membrane Remodeling Due to a Mixture of Multiple Types of Curvature Proteins. In: Journal of Chemical Theory and Computation .

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Official URL: https://doi.org/10.1021/acs.jctc.2c00126


We present an extension of the Monte Carlo based mesoscopic membrane model, where the membrane is represented as a dynamically triangulated surface and the proteins are modeled as anisotropic inclusions formulated as in-plane nematic field variables adhering to the deformable elastic sheet. In the extended model, we have augmented the Hamiltonian to study membrane deformation due to a mixture of multiple types of curvature generating proteins. This feature opens the door for understanding how multiple kinds of curvature-generating proteins may be working in a coordinated manner to induce desired membrane morphologies. For example, among other things, we study membrane deformations and tubulation due to a mixture of positive and negative curvature proteins as mimics of various proteins from BAR domain family. We also study the effect of membrane anisotropy that manifests as differential binding affinity and organization of curvature proteins, leading to insights into the tightly regulated cargo sorting and transport processes. Our simulation results show different morphology of deformed vesicles that depend on membrane tension, the curvatures and number of the participating proteins as well as on protein-protein and membrane-protein interactions.

Item Type: Journal Article
Publication: Journal of Chemical Theory and Computation
Publisher: American Chemical Society
Additional Information: The copyright for this article belongs to American Chemical Society.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 14 Sep 2022 10:16
Last Modified: 14 Sep 2022 10:16
URI: https://eprints.iisc.ac.in/id/eprint/76454

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