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Personalized Medicine steps forward with Bioinformatics Method from BSC

In what is being cited as a step towards personalized medicine, the Barcelona Supercomputing Center (BSC) and IrsiCaixa have developed a bioinformatics method to predict the effects of mutation on the resistance of the virus to HIV drugs. An article published in the Journal of Chemical Information and Modeling explains how this method has effectively predicted the resistance of the virus with genetic mutations in the HIV-1 protease, a protein which is essential for the replication of the virus, to the drugs amprenavir and darunavir. The method could easily be applied to other drugs and proteins.

Attacking HIV with Titan and Blue Waters

“The highly parallel molecular dynamics code NAMD was was one of the first codes to run on a GPU cluster when G80 and CUDA were introduced in 2007, and is now used to perform petascale biomolecular simulations, including a 64-million-atom model of the HIV virus capsid, on the GPU-accelerated Cray XK7 Blue Waters and ORNL Titan machines.”