Titan Supercomputer Identifies Molecules Most Likely to Disrupt Function of Efflux Pump (IMAGE)

University of Oklahoma

Titan Supercomputer Identifies Molecules Most Likely to Disrupt Function of Efflux Pump

Caption

Once antibiotics have entered the cell by crossing the outer membrane (inset, top), they enter the efflux pump protein shown in yellow near the inner membrane (bottom) only to be pumped back out of the cell (upward). The Titan supercomputer identifies molecules that target the "red" proteins and potentially disable the efflux pump by preventing it from assembling properly.

Credit

Oak Ridge National Laboratory

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