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Vanni_Computational_Approaches
Journal article

Computational approaches to investigate and design lipid-binding domains for membrane biosensing

DOKPE

  • 2021
Published in:
  • CHIMIA International Journal for Chemistry. - 2021, vol. 75, no. 12, p. 1031-1036
de novo Design
Lipid-binding domains
Lipid-sensing
MD simulations
English 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.
Faculty
Faculté des sciences et de médecine
Department
Département de Biologie
Language
  • English
Classification
Chemistry
License
CC BY
Open access status
green
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/312922
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