12–17 Jul 2026
University of Graz
Europe/Vienna timezone

Agent-based Modelling of Molecular Dynamics in the Gram-negative Outer Membrane

MS161-07
16 Jul 2026, 15:50
20m
11.01 - HS (University of Graz)

11.01 - HS

University of Graz

130
Minisymposium Talk Systems Biology and Biochemical Networks Whole-cell modelling: progress and perspectives

Speakers

Thomas Williams (University of Melbourne) James Osborne (University of Melbourne) KJ Goh (Monash University) Trevor Lithgow (Monash University) Jennifer Flegg (University of Melbourne)

Description

The outer membrane of Gram-negative bacteria is a crucial defensive structure, conferring - among other properties - substantial protection against antibiotics. Decades of high-resolution molecular dynamics modelling has provided powerful insights into the structures of the chemical species that reside in the Gram-negative outer membrane and their chemical and physical interactions. However, the extraordinary complexity of these models limits their use to microseconds of simulation time. In this talk, we introduce a coarse-grained, agent-based modelling approach which can provide insights into membrane dynamics on the seconds-to-minutes time scale of cell growth. The model reveals that spatial constraints play a key role in the growth dynamics of the Gram-negative outer membrane, demonstrates the emergence of characteristic spatial structures, and challenges the current biological dogma of how the Gram-negative outer membrane grows.

Author

Thomas Williams (University of Melbourne)

Presentation materials

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