Overcoming Resistance

To revive antibiotics and devise new drug designs, Georgia Tech researchers team up with Oak Ridge’s Titan supercomputer....Knocking out efflux pumps is a promising strategy both to create new drugs and bring old antibiotics back to life, says physicist James C. Gumbart of the Georgia Institute of Technology...Gumbart and his team have used Titan, the Cray XK7 supercomputer at the Oak Ridge Leadership Computing Facility, a Department of Energy (DOE) user facility, to simulate the shape and related stability of proteins related to cells' machinery to expel toxic substances.