The 'fugaku' in the world of spikon is expected to be successful in the development of a new therapeutic drug

Anita 2020-07-08

The'fugaku'intheworldofspikonisexpectedtobesuccessfulinthedevelopmentofanewtherapeuticdrug

The supercomputers (RIKEN), RIKEN (RIKEN) and Fujitsu (RIKEN), which have been developing and developing jointly, have been gaining power in the research of the development of the drug for the new type of coronavirus infection (covo-19) and the prevention of infection. Both researchers are collaborating with RIKEN and Kobe University in collaboration with RIKEN. Tomioka became the first in the world ranking of calculated speed on the 22nd of this month. In order to overcome the new corona, the achievements and activities of Japan's spaghetti are expected.

The power of the spy in order to overcome the corona disaster

Covid-19 does not stop infection worldwide. The number of infected people in the world exceeds 9.4 million people on the 25th and 40,000 deaths respectively. "The pandemic (global pandemic) is accelerating on the 19th," World Health Organization Secretary General theodus said. The world entered the dangerous new bureau plane, "he called for the warning. The end of the pandemic isn't standing at all.

This severe situation continues and the new coronavirus is still unclear. While the development of the vaccine and the decisive drug for the development competition is advancing all over the world, the space with the high computational ability which supports the data science which supports various research and various simulations is noticed.

April 7, as the number of infected people in Japan increased every day in Tokyo. The Ministry of education, culture, sports, science and technology and the science and technology research center of RIKEN announced that today will take advantage of the test for CVD-19 research. It declared that it can be used for the discovery of the drug and the simulation of the infection prevention.

Tomioka is the successor of the spikon "kyoshi", which has been operated last August, and RIKEN and Fujitsu are developing and developing. The cost of development is the same as Kyoto. The calculated speed finally aims at about 100 times that of Kyo. It is judged that it will be able to contribute to various researches sufficiently, though it does not have the ability to completion at the completion of the full use in 2021.

I look back at Tomioka's "senior" Kyo. The Kyoto development plan began in 2006 led by the government. Fujitsu developed jointly and started the common operation in September 2012. It had the ability to calculate 1 Kyo per second (Kyoto was 10000 times as much as the trillion). It was utilized in universities, public research institutions, and companies in Japan and abroad, and it contributed to the development research of many enterprises, not only public research in the field of the earth environment, the disaster prevention, the life science, the medical treatment and the medical treatment that the power of the spacon was demonstrated.

In August 2011, before the common operation, it shone twice in the world ranking of the calculation speed of the paracon. However, it was pushed by China and the U. s.spy and it greatly dropped the rank. For this reason, the government decided to develop "next generation spacon", and in 2014, the government has been developing its successor. It was Tomioka that was later named. Similar to Kyo, it was established at RIKEN science and technology research center in Chuo ward, Kobe City, and the results of operation are expected to be superior to Kyo.

According to the Ministry of education, culture, sports, science and technology, in the field of covid-19 research, (1) identification of candidates for new coronavirus, (2) dynamic structure prediction of proteins on the new coronavirus surface, (3) simulation of pandemic phenomena and simulation, and (4) new coronavirus Four fragments of "fragment molecular orbital calculations" for proteins may be added in the future. The fragment molecular orbital calculation is noticed recently by the method which can be utilized in the development of new drug which targets the protein in vivo.

"Contribute to the end of the early pandemic."

One of tomitake's most important missions is to protect people's safety relief with great computational capacity. In response to science based on a new type of coronavirus, from the diagnosis and the treatment to the prevention of infection prevention, it gives the rapid advance of the ability to undertake, which is in preparation for operation, and contributes to the end of the early pandemic. Although the results of the simulation were expected to be linked to the epoch-making drug development in Tomioka, the director of Matsuo Satoshi center at the RIKEN Center for computational science and technology commented in April.

Tomioka was manufactured by Fujitsu IT products located in kahobe City, Ishikawa Prefecture, and the large equipment was dispersed and carried out to the science and technology research center by 72 large trucks, and the transfer was completed on May 13. It was released to the press on June 16, but the research of the problem has already been advanced energetically, and it has begun to work quickly to meet the expectations of Matsuoka center chief.

Assignment of candidates for new coronavirus. It is an attempt to precisely simulate the movement of the molecular level of the protein of the new coronavirus by the power of the spy computer and to look for the candidate of the drug.

This research is the leader of Professor Okuno Okuno of Kyoto University Graduate School of Medicine. Several new types of coronavirus have proteins that are essential for proliferation. If you can look for drugs that don't work with these proteins, you can suppress the growth of the virus --. Based on these ideas.

According to Professor Okuno, the use of the vast computational ability of fugaku will be able to look for treatment candidates from more than 2100 drugs, including existing drugs, as well as antiviral drugs in and outside the country. It is also possible to examine the antiviral effect when two or more drugs are simultaneously administered in order to calculate the multiple drugs simultaneously. In addition, it is possible to elucidate the mechanism of the drug.

According to the research group, it is difficult to calculate exactly how a protein binds to any protein, and it is the limit to calculate the behavior from protein to protein. However, it is said that it can be reproduced from the place where medicine and protein meet.

Approach to viral behavior

Many new coronavirus are still unclear. The behavior of the virus itself is not well understood. Although this research is important, the dynamic structure of the protein surface is predicted. The team leader of the Institute of life science and technology, Yuji Sugihara, serves as the representative.

A new coronavirus must invade cells in the body to proliferate. There is a receptor (receptor) protein in the cell, and the virus on the surface of the virus is bound to join the virus. The virus can open the key of a cell using a "key key", but if you don't use this key, you can prevent the virus from invading. Although the three-dimensional structure of the receptor protein, which is the key to the cell, is revealed by a special electron microscope, the protein is always moving and the structure gradually changes. Therefore, it is not clear at which timing the key of the virus opens the key of the cell.

According to Sugita team leader, in this study, the movement of a large number of atoms making up a key of a cell was calculated by the Tochigi (molecular dynamics calculation), and the change of the form of the receptor protein which was difficult in the experiment was clarified, and the binding state of the virus key was clarified. And it is said that it connects to the development of the drug which inhibits this combination.

The research on prediction and countermeasure of virus splash infection in indoor environments is also noticed. Makoto tsubokura, a graduate of systems and information science, Kobe University, has been working as a leader.

The new coronavirus is said to be spread by seaweed, sneezing, and splashing by the voice, and by the aerosol caused by the minute spray. In order to evaluate the risk of infection, it is necessary to correctly estimate the scattering path of spray and aerosol. Therefore, enormous calculation is required for the estimation of the scattering path. Therefore, it is called "Cube", which is a super large scale thermal fluid analysis software implemented in Tomioka.

In the research to simulate the movement of the spray which the research group of Prof.

tsubokura and others used "Cube" etc., it has already obtained valuable data. As a result, it has been pointed out that it is important to avoid converging in a crowded train or in a contiguous manner to prevent the spread of a new type of coronavirus. However, it can be convinced that it coincides with the result of the calculation of the computer.

Let's introduce some simulation results.

If you open the window in the train, you can increase the ventilation amount by two to three times more than when you open the window, but you can get enough space between passengers because the ventilation can be done in a crowded car. Although there is a certain effect on ventilation, it is important to avoid the crowded train and complete the commuter commutation.

The partition in the office is 120 cm tall and the effect is limited. The effect is 140 centimeters, and the spray is suppressed to one tenth. This is going to be helpful for the splash of the office where the desk and the chair are arranged side by side. In addition, it was said that the effect of the nonwoven mask was obtained by referring to the fact that there was a gap between the face and the face and leaked 40 to 50%.

Responsibility and self-responsibility of a researcher who runs Mt. Tomioka

Tomioka is also used to study the impact of covid-19 on social and economic impacts. In addition to RIKEN, many universities, research institutes and companies, such as Tsukuba University, Tokyo Institute of Technology, Hyogo Prefectural University, University of Ryukyu, Waseda University, have participated. For example, in the forecast of the effect of activity self-restraint on the GDP per day (GDP) in the case where economic activity stops for a certain period by the activity self-restraint, the result that the activity self-restraint continues for two months lowers the GDP by 7.8 points.

Tomioka was the first place in the world ranking "top 500" of the speed calculation, and the Japanese spy con regained the first place after eight years and a half since the former Kyoto. The calculated speed is 41 kyo5530 trillion times per second. The design of the central processing unit (CPU) of 15000 pieces of heart is made possible. The performance difference was about 2.8 times in the 2nd place.

In addition to the calculation speed section, Tomioka became the first place in the department which focused on the performance of the enterprise etc.Use the application, the department which sees the ability to deal with the big data, and the department which evaluates the calculation ability utilized in AI (AI). It is the first 4 crown in the world. Although it tends to pay attention to the calculation speed projected from this report, the significance of having stood in the top of the three departments which can be applied to various fields is very significant.

The director of the center for computational science and technology, RIKEN Matsuoka, on the 23rd, at an online press conference, said that Tomioka became the first place with an overwhelming difference, but he did not yet have a function of 100 percent. In the future, it is said that the people will solve various problems of the society and the problem of the world with high interest ".

Mr. Matsuoka's April comments "contribute to the end of the early pandemic", and I was prepared to face the heavy proposition that was led by scientists and researchers around the world who "can do science and science to overcome the infection by the new model corona virus". He also expressed his pride in the responsibility and performance as a person responsible for operating a space with a large amount of national expenses. I want to hope.

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