Computational microscopy of mitochondrial membranesArnarez, 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 proceeding › Chapter › Academic › peer-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.
|Title of host publication||Computer Design for New Drugs and Materials|
|Subtitle of host publication||Molecular Dynamics of Nanoscale Phenomena|
|Publisher||Nova Science Publishers, Inc, Hauppauge, NY, USA.|
|Number of pages||21|
|Publication status||Published - 1-Jan-2017|
- Coarse-grained, Computational microscopy, Lipids, Mitochondrial membranes, Molecular dynamics simulations