ORNL scientists model disease-causing cell structures using HPC



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November 5, 2020 – An international research team has discovered a mechanism used by pathogenic bacteria to anchor their outer protective membranes. Their findings could inform strategies for destroying a microbe’s cellular structure, ultimately helping to fight pathogens affecting humans and plants.

Gram negative biology 0
ORNL collaborated on the study of proteins called porins, one shown in red, which are found in the protective outer membrane of some pathogenic bacteria and bind the membrane to the cell wall. Credit: Hyea (Sunny) Hwang / Georgia Tech and ORNL, United States Department of Energy

Scientists at Oak Ridge National Laboratory used high-performance computing to create protein models that helped reveal how the outer membrane is bound to the cell membrane in some bacteria. These Gram-negative bacteria enclose their cell walls between an outer and an inner membrane, and the layers act as a shield allowing them to persist in harsh conditions.

The ORNL models informed further simulations and experiments by collaborators who observed these unusual connections.

“Modeling and simulation of membrane proteins help us understand complex cell structures,” said Jerry Parks of ORNL. ‘These approaches are particularly important when relatively little is known about an organism, because it is difficult to study in the laboratory.’

More information: https://www.ornl.gov/news/biology-bacterial-shield-breakdown


Source: ORNL

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