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Title: Supercomputer Simulations Help Develop New Approach to Fight Antibiotic Resistance

ORNL leveraged powerful supercomputing to support research led by University of Oklahoma scientists to identify chemicals that seek out and disrupt bacterial proteins called efflux pumps, known to be a major cause of antibiotic resistance. By running simulations on Titan, the team selected molecules most likely to target and potentially disable the assembly of efflux pumps found in E. coli bacteria cells.
Authors:
;
Publication Date:
OSTI Identifier:
1332726
Resource Type:
Other
Research Org:
ORNL (Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States))
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
47 OTHER INSTRUMENTATION ANTIBIOTIC RESISTANCE; BACTERIAL PROTEINS; FUNGI; VIRUSES; EFFLUX PUMPS; SUPERCOMPUTERS