Initiating Coarse-Grained MD Simulations for Membrane-Bound Proteins

Amanda Buyan*, Ben Corry

*Corresponding author for this work

    Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review


    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.

    Original languageEnglish
    Title of host publicationMethods in Molecular Biology
    PublisherHumana Press Inc.
    Number of pages11
    Publication statusPublished - 2022

    Publication series

    NameMethods in Molecular Biology
    ISSN (Print)1064-3745
    ISSN (Electronic)1940-6029


    Dive into the research topics of 'Initiating Coarse-Grained MD Simulations for Membrane-Bound Proteins'. Together they form a unique fingerprint.

    Cite this