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News hardware & software 20 March 2020, 13:43

author: Conrad Hazi

Supercomputer Will Provide Breakthrough in Fight Against Coronavirus

Researchers at Oak Ridge National Laboratory used the world's most powerful supercomputer to research of coronavirus. Using appropriate models and its tremendous computing power, the machine identified 77 substances potentially effective against SARS-CoV-2.

Uh... VIRUS DATABASE HAS BEEN UPDATED!!!
IN A NUTSHELL:
  • IBM's Summit supercomputer was used by scientists to research the novel coronavirus.
  • The task was to select substances that could neutralize the virus.
  • Based on the implemented model, the machine identified 77 substances that may be capable of annihilating the new coronavirus.

We are all aware that the new coronavirus is a great challenge for researchers. In addition, the rate of its spread makes it necessary for any research to be carried out really quickly. This is where Summit, the world's fastest supercomputer comes into the fray, which provides the scientists with tremendous help in making breakthrough discoveries.

Now this is one mean machine

The machine developed by IBM has performed thousands of simulations to see which chemicals can stop the virus from infecting host cells. The supercomputer identified 77 such substances, which is a promising result in terms of creating an effective vaccine. There is much to brag about and the conclusions of the experiment were published by researchers from Oak Ridge National Laboratory on ChemRxiv.

Summit was commissioned by the U.S. Department of Energy and its construction started in 2014. The purpose of its creation was what it is used for today - solving world's problems. Its power oscillates around 200 petaflops (200,000 teraflops, as many as 20,000 PS5 consoles) and can perform up to 200 quadrillion operations per second.

Many scenarios for coronavirus

That's a lot of computing power to be used for the greater good. Scientists from the Oak Ridge National Laboratory in Tennessee created a model, and Summit was testing every possible scenario to see how to annihilate the SARS-CoV-2 virus, which infects cells with a spike protein. Figuratively and very generally speaking, scientists are looking for substances that will be able to deform this "spike", making the virus unable to infect anyone. Of the eight thousand substances, the machine selected 77, indicating those that are potentially most effective.

The scientists are looking for a way to annihilate an element marked as Spike Glycoprotein (S). Source: Scientific Animations / CC

This is not the first medical research conducted using the Summit supercomputer. Previously, it was used successfully, among other things, to recognize changes in cells before the onset of Alzheimer's disease.

This is a step... that must be followed by another one

The next step on the way to drawing conclusions will be to repeat the simulation. The first series of tests was based on a model of the spike protein created in January. This month, however, more accurate models have appeared. Later on, everything will be in the hands of scientists, who will have to carry out laboratory tests to confirm the results and identify the most effective substances.

"Our results don't mean that we have found a cure or treatment for the coronavirus," admitted Jeremy Smith from Oak Ridge National Laboratory.

However, their discoveries allow for more efficient research in the future and can speed up the process of creating a vaccine. Which is probably good news, right?