Communications of the ACM
Computer Simulations Shed Light on Cancer Prevention
![Dibenzo[a,l]pyrene](/system/assets/0000/9739/111212.HPCwire.Dibenzo_a_l_pyrene.large.jpeg?1476779410&1352751265 "Dibenzo[a,l]pyrene")
NYU professor Suse Broyde's team determined that dibenzo[a,l]pyrene was most likely to induce tumors.
Credit: HPCwire
New York University (NYU) researchers are using high performance computing (HPC) resources to model airborne cancerous chemicals, known as polycyclic aromatic hydrocarbon (PAH), and their effect on DNA strands in human cells. HPC accelerated the process of determining which carcinogens manipulated the DNA so effectively.
The NYU researchers, led by professor Suse Broyde, used the Longhorn, Lonestar, and Ranger systems at the Texas Advanced Computing Center (TACC) to perform these simulations, along with resources in the Extreme Science and Engineering Discovery Environment. The researchers used TACC's resources to develop a series of computer simulations, which revealed "structural, energetic, and dynamic properties of the DNA containing the PAH-derived lesions," Broyde says. After modeling three different carcinogens in two different configurations each, Broyde's team determined that dibenzo[a,l]pyrene was most likely to induce tumors.
Determining which carcinogens pose the greatest risk is critical to preventative medicine, as doctors can warn patients which chemicals they should be more wary around. The research also could lead to the development of more effective chemotherapeutic drugs.
From HPC Wire
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