Skip to ContentSkip to Navigation
About us Latest news News News articles

Simulation studies of membrane fusion and the role of fusion peptides

17 September 2010

PhD ceremony: dhr. M. Fuhrmans, 14.45 uur, Academiegebouw, Broerstraat 5, Groningen

Thesis: Simulation studies of membrane fusion and the role of fusion peptides

Promotor(s): prof. S.J. Marrink

Faculty: Mathematics and Natural Sciences

 

Mixtures of lipids and water form lyotropic phases in which the polar and apolar moieties are separated by an interface lined with the headgroups of the lipid molecules. These phases are fluid-like in the sense that they are very flexible and that the individual lipids possess a high mobility. At the same time, however, their overall shape is relatively stable. This behavior is the basis of all cellular life and a considerable part of biology revolves around the organization of lipid aggregates into membranes surrounding cells and cellular compartments. A complex machinery of proteins and peptides is involved in controlling the fusion and fission of these membranes as well as the transport through them.

This thesis presents insights obtained from computer simulations, taking a closer look at the intermediate stages of membrane fusion and the role of fusion peptides. In particular, molecular dynamics simulations of vesicle fusion are presented, giving evidence for an alternative fusion pathway. In addition, the effects of the Influenza HA fusion peptide on stalk formation and the phase diagram of representative mixtures of lipids and water are studied placing special emphasis on the curvature of the lipid/water interface. A method to analyze the morphology of molecular aggregates using morphological image analysis is presented as well. Finally, the effects of introducing bundling, i.e. relative restraints on groups of molecules, to the SPC water model has been investigated. Bundling is required for the simultaneous representation of water at the fine- and coarse-grained level in multiscale simulations.

 

Last modified:13 March 2020 01.13 a.m.
Share this Facebook LinkedIn
View this page in: Nederlands

More news

  • 01 April 2025

    NSC’s electoral reform plan may have unwanted consequences

    The new voting system, proposed by minister Uitermark, could jeopardize the fundamental principle of proportional representation, says Davide Grossi, Professor of Collective Decision Making and Computation at the University of Groningen

  • 01 April 2025

    ‘AiNed’ National Growth Fund grant for speeding adoption of AI at SMEs

    Professor Ming Cao receives an ‘AiNed’ Growth Fund grant of EUR 2.4 million for research that will contribute to faster adoption of AI at SMEs in the technical industry in the Netherlands.

  • 01 April 2025

    'Diversity leads to better science'

    In addition to her biological research on ageing, Hannah Dugdale also studies disparities relating to diversity in science. Thanks to the latter, she is one of the two 2024 laureates of the Athena Award, an NWO prize for successful and inspiring...