Computational microscopy of mitochondrial membranes

Arnarez, C. & Marrink, S. J., 1-Jan-2017, Computer Design for New Drugs and Materials: Molecular Dynamics of Nanoscale Phenomena. Nova Science Publishers, Inc, Hauppauge, NY, USA. , p. 1-20 21 p.

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

Computational ‘microscopy’ refers to the use of computational resources to simulate the dynamics of a molecular system. Tuned to cell membranes, this method allows us to capture the interplay between lipids and proteins at a spatio-temporal resolution that is unmatched by other methods. In this Chapter we describe the use of the computational microscope to study mitochondrial membranes. Based on large scale coarsegrainedmolecular dynamics simulations, we observe the formation of respiratory chain supercomplexes in model mitochondrial membranes. We provide strong evidence of the key role of cardiolipins, the signature lipid of mitochondrialmembranes, in this process. The Chapter should give the reader a clear example how state-of-the-art modeling can provide molecular level insight in the organization and dynamics of cell membranes.

Original languageEnglish
Title of host publicationComputer Design for New Drugs and Materials
Subtitle of host publicationMolecular Dynamics of Nanoscale Phenomena
PublisherNova Science Publishers, Inc, Hauppauge, NY, USA.
Number of pages21
ISBN (Electronic)9781536121018
ISBN (Print)9781536120820
Publication statusPublished - 1-Jan-2017


  • Coarse-grained, Computational microscopy, Lipids, Mitochondrial membranes, Molecular dynamics simulations

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