Preprint Review Version 1 Preserved in Portico This version is not peer-reviewed

A Review of Mechanics-Based Mesoscopic Membrane Remodelling Methods: Capturing Both the Physics and the Chemical Diversity

Version 1 : Received: 19 August 2022 / Approved: 22 August 2022 / Online: 22 August 2022 (03:20:01 CEST)

How to cite: Kumar, G.; Duggisetty, S. C.; Srivastava, A. A Review of Mechanics-Based Mesoscopic Membrane Remodelling Methods: Capturing Both the Physics and the Chemical Diversity. Preprints 2022, 2022080366. https://doi.org/10.20944/preprints202208.0366.v1 Kumar, G.; Duggisetty, S. C.; Srivastava, A. A Review of Mechanics-Based Mesoscopic Membrane Remodelling Methods: Capturing Both the Physics and the Chemical Diversity. Preprints 2022, 2022080366. https://doi.org/10.20944/preprints202208.0366.v1

Abstract

Specialized classes of proteins, working together in a tightly orchestrated manner, induce and maintain highly curved cellular and organelles membrane morphology. Due to the various ex- perimental constraints, including the resolution limits of imaging techniques, it is non-trivial to accurately elucidate interactions among the various components involved in membrane deformation. The spatial and temporal scales of the systems also make it formidable to investigate them using simulations with molecular details. Interestingly, mechanics-based mesoscopic models have been used with great success in recapitulating the membrane defor- mations observed in experiments. In this review, we collate together and discuss the various mechanics based mesoscopic models for protein-mediated membrane deformation studies. In particular, we provide an elaborate description of a mesoscopic model where the membrane is modeled as a triangulated sheet and proteins are represented as either nematics or fila- ments. This representation allows us to explore the various aspects of protein-protein and protein-membrane interactions as well as examine the underlying mechanistic pathways for emergent behavior such as curvature-mediated protein localization and membrane deforma- tion. We also put forward current efforts in the field towards back-mapping these mesoscopic models to finer-grained particle based models - a framework that could be used to explore how molecular interactions propagate to physical scales and vice-versa. We end the review with an integrative-modeling based road map where experimental imaging micrograph and biochemical data are combined with mesoscopic and molecular simulations methods in a theoretically consistent manner to faithfully recapitulate the multiple length and time scales in the membrane remodeling processes.

Keywords

Curvature proteins; Membrane Remodelling; Protein-protein interactions; Mesoscopic Modeling; Backmapping and molecular reconstruction

Subject

Physical Sciences, Biophysics

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