Computational Approaches to Investigate and Design Lipid-binding Domains for Membrane Biosensing

Authors

DOI:

https://doi.org/10.2533/chimia.2021.1031

Keywords:

de novo design, Lipid-binding domains, Lipid-sensing, MD simulations

Abstract

Association of proteins with cellular membranes is critical for signaling and membrane trafficking processes. Many peripheral lipid-binding domains have been identified in the last few decades and have been investigated for their specific lipid-sensing properties using traditional in vivo and in vitro studies.  However, several knowledge-gaps remain owing to intrinsic limitations of these methodologies. Thus, novel approaches are necessary to further our understanding in lipid-protein biology. This review briefly discusses lipid binding domains that act as specific lipid biosensors and provides a broad perspective on the computational approaches such as molecular dynamics (MD) simulations and machine learning (ML)-based techniques that can be used to study protein-membrane interactions. We also highlight the need for de novo design of proteins that elicit specific lipid binding properties.

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Published

2021-12-09

How to Cite

[1]
S. Srinivasan, S. Vanni, Chimia 2021, 75, 1031, DOI: 10.2533/chimia.2021.1031.