Identification and Characterization of Specific Protein-Lipid Interactions Using Molecular Simulation

Robin A Corey; Mark S P Sansom; Phillip J Stansfeld

doi:10.1007/978-1-0716-1468-6_8

Identification and Characterization of Specific Protein-Lipid Interactions Using Molecular Simulation

Methods Mol Biol. 2021:2315:121-139. doi: 10.1007/978-1-0716-1468-6_8.

Authors

Robin A Corey¹, Mark S P Sansom², Phillip J Stansfeld³

Affiliations

¹ Department of Biochemistry, University of Oxford, Oxford, UK. robin.corey@bioch.ox.ac.uk.
² Department of Biochemistry, University of Oxford, Oxford, UK.
³ School of Life Sciences and Department of Chemistry, University of Warwick, Coventry, UK.

PMID: 34302674
DOI: 10.1007/978-1-0716-1468-6_8

Abstract

Interactions with lipids can dramatically shape and define the activity of membrane proteins. Here, we describe tools that allow the identification of these interactions using molecular dynamics simulation. Additionally, we provide the details of how to use different methods to probe the affinity of these interactions.

Keywords: Free energy calculations; Lipids; Membrane proteins; Molecular dynamics; Protein–lipid interactions.

MeSH terms

Biophysical Phenomena / physiology
Cell Membrane / metabolism*
Lipid Bilayers / metabolism*
Membrane Proteins / metabolism*
Molecular Dynamics Simulation
Protein Binding / physiology

Substances

Lipid Bilayers
Membrane Proteins