Titan Helps Researchers Suck Mystery Out of Cell’s ‘Vacuum Cleaners’


Newswise imageIn cancer cells, a membrane transport protein called P-glycoprotein, or Pgp, actively pumps anticancer drugs out of the cell, contributing to multidrug resistance. Recently, a team led by computational biophysicist Emad Tajkhorshid from the University of Illinois at Urbana-Champaign (UIUC) used the Titan supercomputer to uncover new details about Pgp that could help the drug discovery community manipulate Pgp function.