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Coarse-grained simulation reveals key features of HIV-1 capsid self-assembly

Author

Listed:
  • John M. A. Grime

    (Institute for Biophysical Dynamics, James Franck Institute, and Computation Institute, The University of Chicago)

  • James F. Dama

    (Institute for Biophysical Dynamics, James Franck Institute, and Computation Institute, The University of Chicago)

  • Barbie K. Ganser-Pornillos

    (University of Virginia School of Medicine)

  • Cora L. Woodward

    (California Institute of Technology)

  • Grant J. Jensen

    (California Institute of Technology
    Howard Hughes Medical Institute, California Institute of Technology)

  • Mark Yeager

    (University of Virginia School of Medicine
    Center for Membrane Biology, Cardiovascular Research Center, University of Virginia School of Medicine)

  • Gregory A. Voth

    (Institute for Biophysical Dynamics, James Franck Institute, and Computation Institute, The University of Chicago)

Abstract

The maturation of HIV-1 viral particles is essential for viral infectivity. During maturation, many copies of the capsid protein (CA) self-assemble into a capsid shell to enclose the viral RNA. The mechanistic details of the initiation and early stages of capsid assembly remain to be delineated. We present coarse-grained simulations of capsid assembly under various conditions, considering not only capsid lattice self-assembly but also the potential disassembly of capsid upon delivery to the cytoplasm of a target cell. The effects of CA concentration, molecular crowding, and the conformational variability of CA are described, with results indicating that capsid nucleation and growth is a multi-stage process requiring well-defined metastable intermediates. Generation of the mature capsid lattice is sensitive to local conditions, with relatively subtle changes in CA concentration and molecular crowding influencing self-assembly and the ensemble of structural morphologies.

Suggested Citation

  • John M. A. Grime & James F. Dama & Barbie K. Ganser-Pornillos & Cora L. Woodward & Grant J. Jensen & Mark Yeager & Gregory A. Voth, 2016. "Coarse-grained simulation reveals key features of HIV-1 capsid self-assembly," Nature Communications, Nature, vol. 7(1), pages 1-11, September.
    • Handle: RePEc:nat:natcom:v:7:y:2016:i:1:d:10.1038_ncomms11568
    DOI: 10.1038/ncomms11568
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