Atomic-Resolution Model of H1N1 Virus Created

Using NVIDIA Tesla graphics processing units (GPU), a collaboration of Chinese experts were recently able to create the most complex model of the H1N1 influenza virus. Their computer simulation revealed that microorganism in atomic-level resolution.

The achievement marks a significant step forward in the fight against influenza, and especially against the most virulent and dangerous forms of the condition. Despite the best efforts researchers made thus far, a universal cure for the flu is still many years away.

However, the work carried out by investigators at the Institute of Process Engineering of Chinese Academy of Sciences (CAS-IPE) may set researchers on the correct path again. The team took a less-ordinary approach to modeling this virus.

In order to observe the entire atomic structure of the virus, the team decided to create a computational microscope capable of conducting molecular-dynamics simulations. Experts decided to use the Mole-8.5 GPU-accelerated supercomputer for this task.

The machine relies on the processing power of 2,200 NVIDIA Tesla GPU. Lately, more and more supercomputers are beginning to start using GPU instead, or alongside, conventional CPU.

“The Mole-8.5 GPU supercomputer is enabling us to perform scientific research that simply was not possible before. This research is an important step in developing more effective ways to control epidemics and create anti-viral drugs,” CAS-IPE assistant professor Dr. Ying Ren explains.

This is a very important breakthrough in the field of microbiology, analysts comment, since studying such minute structures has thus far been nearly impossible. A large number of reactions occurring inside molecules or viruses happen so fast that even the most modern microscopes cannot see them.

At the same time, progress was slowed down even further by the fact that supercomputers were simply unable to simulate the billions of particles and interactions that occurred within even the simplest virus.

However, augmenting the results of direct observations with data obtained from simulations – similar to how cosmological studies are conducted – proves to be a research avenue definitely worth exploring.

GPU-based supercomputers are currently also used for conducting other complex investigations, such as for example creating simulations of turbulent flows, modeling global weather patterns and simulating the properties of nuclear fusion.