Publication

Computational 'microscopy' of cellular membranes

Ingólfsson, H. I., Arnarez, C., Periole, X. & Marrink, S. J., 15-Jan-2016, In : Journal of Cell Science. 129, 2, p. 257-268 12 p.

Research output: Contribution to journalReview articleAcademicpeer-review

Computational 'microscopy' refers to the use of computational resources to simulate the dynamics of a molecular system. Tuned to cell membranes, this computational 'microscopy' technique is able to capture the interplay between lipids and proteins at a spatio-temporal resolution that is unmatched by other methods. Recent advances allow us to zoom out from individual atoms and molecules to supramolecular complexes and subcellular compartments that contain tens of millions of particles, and to capture the complexity of the crowded environment of real cell membranes. This Commentary gives an overview of the main concepts of computational 'microscopy' and describes the state-of-the-art methods used to model cell membrane processes. We illustrate the power of computational modelling approaches by providing a few in-depth examples of large-scale simulations that move up from molecular descriptions into the subcellular arena. We end with an outlook towards modelling a complete cell in silico.
Original languageEnglish
Pages (from-to)257-268
Number of pages12
JournalJournal of Cell Science
Volume129
Issue number2
Publication statusPublished - 15-Jan-2016

    Keywords

  • Molecular dynamics, Coarse-graining, simulations, multiscaling, membrane proteins, liid bilayers, MOLECULAR-DYNAMICS SIMULATIONS, RESPIRATORY-CHAIN SUPERCOMPLEXES, COARSE-GRAINED SIMULATION, PROTEIN-COUPLED RECEPTORS, CYTOCHROME BC(1) COMPLEX, ADDITIVE FORCE-FIELD, TRANSMEMBRANE HELICES, YEAST MITOCHONDRIA, ELECTRON-TRANSPORT, LIPID INTERACTIONS

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