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

Speaker

Thomas Williams (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)

Co-authors

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

Presentation materials

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