Computational Approaches to Investigate and Design Lipid-binding Domains for Membrane Biosensing
Keywords:de novo design, Lipid-binding domains, Lipid-sensing, MD simulations
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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Copyright (c) 2021 Stefano Vanni, Sriraksha Srinivasan
This work is licensed under a Creative Commons Attribution 4.0 International License.