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Enhanced sampling for lipid-protein interactions during membrane dynamics

DIEGO MASONE1,2,*

1 Instituto de Histología y Embriología de Mendoza (IHEM)-Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Universidad Nacional de Cuyo (UNCuyo), Mendoza, 5500, Argentina
2 Facultad de Ingeniería, Universidad Nacional de Cuyo (UNCuyo), Mendoza, 5500, Argentina

* Corresponding Author: DIEGO MASONE. Email: email

BIOCELL 2023, 47(1), 1-14. https://doi.org/10.32604/biocell.2023.024146

Abstract

The inflexible concept of membrane curvature as an independent property of lipid structures is today obsolete. Lipid bilayers behave as many-body entities with emergent properties that depend on their interactions with the environment. In particular, proteins exert crucial actions on lipid molecules that ultimately condition the collective properties of the membranes. In this review, the potential of enhanced molecular dynamics to address cell-biology problems is discussed. The cases of membrane deformation, membrane fusion, and the fusion pore are analyzed from the perspective of the dimensionality reduction by collective variables. Coupled lipid-protein interactions as fundamental determinants of large membrane remodeling events are also commented. Finally, novel strategies merging cell biology and physics are considered as future lines of research.

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Cite This Article

MASONE, D. (2023). Enhanced sampling for lipid-protein interactions during membrane dynamics. BIOCELL, 47(1), 1–14.



cc This work is licensed under a Creative Commons Attribution 4.0 International License , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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