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Initiating Coarse-Grained MD Simulations for Membrane-Bound Proteins

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Book cover Membrane Lipids

Part of the book series: Methods in Molecular Biology ((MIMB,volume 2402))

Abstract

Molecular dynamics (MD) simulations have become a widely used tool in the scientific community for understanding molecular scale phenomena that are challenging to address with wet-lab techniques. Coarse-grained simulations, in which multiple atoms are combined into single beads, allow for larger systems and longer time scales to be explored than atomistic techniques. Here, we describe the procedures and equipment required to set up coarse-grained simulations of membrane-bound proteins in a lipid bilayer that can mimic many membrane environments.

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Acknowledgments

This work was funded by the Australian Research Council through grant DP200100860.

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Authors and Affiliations

  1. Research School of Biology, Australian National University, Canberra, ACT, Australia

    Amanda Buyan & Ben Corry

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  1. Amanda Buyan
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  2. Ben Corry
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Correspondence to Amanda Buyan .

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Editors and Affiliations

  1. School of Life Sciences, University of Technology Sydney, Ultimo, NSW, Australia

    Charles G. Cranfield

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Buyan, A., Corry, B. (2022). Initiating Coarse-Grained MD Simulations for Membrane-Bound Proteins. In: Cranfield, C.G. (eds) Membrane Lipids. Methods in Molecular Biology, vol 2402. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-1843-1_11

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  • DOI: https://doi.org/10.1007/978-1-0716-1843-1_11

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  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-0716-1842-4

  • Online ISBN: 978-1-0716-1843-1

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