Nobel Prize for chemistry with computer - Republic

Source: 123RF

Source: AFP

class=”author”> splits, Kru, Christopher Smith 09-10-2013

theorists Three scientists won the award for developing digital modeling of reaction and complex molecules – says Krzysztof Kowalski

Martin Karplus, Michael Levitt and Arieh Warshel share equally 8 million Swedish kronor (approximately 919 thousand. euro 4 million) – decided to Royal Swedish Academy of Sciences. This year’s awards ceremony will take place on December 10 in Stockholm.

Verdict announced in the capital of Sweden, the Norwegian Nobel Committee. Laurel was awarded for “the development of large-scale models of complex chemical systems.” In support of the first place, just to say that distinguished researchers “have created the foundation for a powerful software that we use to understand and predict chemical processes.”

Even in the 70s the modeling of molecules, chemists used a “childish” gear: a piece of paper and colored pencils, plastic balls and sticks. Currently the modeling process is carried out with the participation of computers. allows you to map real processes in their study do not have to separate the phenomena described by the classical Newtonian physics of the phenomena under consideration in terms of quantum physics. living organisms in this division does not exist. As a result – we read in the explanatory – it became a real lever of development of modern chemistry.

chemical reactions occur so rapidly that fails to directly observe their every step. To model chemical reactions, computer models have combined the rules of classical physics to the rules of quantum physics. In the first case, the calculations are relatively simple, they can be used for the large particles – but only at rest. Under the influence of the flow of energy of the molecule can change, so you need to describe quantum mechanics. However, in the case of the calculation must take into account the behavior of each nucleus and each electron separately. For this reason, they are unbelievably complicated and applicable only for small molecules. This year’s Nobel Prize winners have combined both types of calculations.

Martin Karplus long before granting him the Nobel Prize insisted that the computer has become a chemist as the primary tool to test tube, and computer simulations are so realistic that on this basis we can predict the results of experiments carried out in the traditional way. Thanks to the achievements of this year’s Nobel Prize winners computer processing power is not wasted. Current programs model the behavior of molecules at different levels: critical atoms are modeled according to the rules of quantum mechanics, less important – the methods of classical physics. The use of models of complex chemical systems is limitless, they need their scientists, but also engineers and industry practitioners to produce better catalysts, pharmaceutical and solar cells.

This year’s winners are forms known in the art world. Martin Karplus introduced so. Karplus equation used for studies on magnetic resonance imaging (MRI). Michael Levitt and Arieh Warshel first made in 1976, computer simulation of the enzymatic reaction – reactive protein within living cells.

three scientists awarded, although chemists are working on the border of biology concerned with proteins. Martin Karplus examine the folding of proteins, that is, long chains forming in the compact structure. Michael Levitt is the prediction of spatial structures, which have the amino acids. Arieh Warshel creates programs showing the linear relationship between the structures and spatial structures of proteins.

Their work proved to be so important that in this year’s Communication Committee were to say that it is the achievement of the winners chosen by the huge progress that has been made recently in the field of experimental chemistry. And all with almost no tubes, but using a computer.

Silhouettes winners

Martin Karplus

University of Strasbourg

was born in Vienna in 1930. As the age of eight he moved with his parents to the United States, has the nationality of that country. He studied first at the prestigious Harvard University, and then in the not so well known at the California Institute of Technology – Caltech. There he came into contact with the world-renowned scientist, physicist and chemist Linus Paulingiem, twice Nobel Prize winner – under his direction earned his doctorate in 1953.

not only family he showed passion and scientific talents, had gone up by his brother Robert, he was a professor of physics at UC Berkeley in California. Martin Karplus was fortunate to learn from the best, as a fellow at Oxford University working under the supervision of the famous chemist Charles Coulson theorist. There remained in Europe, after returning to the U.S. he was appointed professor of chemistry at Harvard University. But Europe can not quit it, in 1966 he began working with the University Louis Pasteur in Strasbourg, which continues to this day, as a pensioner. His passion is photography. He travels across America, Europe and Asia, portraits of people and perpetuating nature, is the author of several exhibitions. Recently changed Leica Model III C of 1950 on the new Canon camera. He admits that thanks to him, he met a whole new face of photography.

K. K.

Michael Levitt

Stanford University

scientific career of Michael Levitt is the best proof that persistence coupled with talent leads straight to the top. He was born in 1947 in Pretoria, South Africa. He moved to the UK and studied at King’s College London. After graduation, he wanted to be sure to get to the Laboratory of Molecular Biology in Cambridge. But the heads of the lab … rejected his application. Led by Nobel Prize winner Max Perutz center Levittowi gave a unique opportunity to work under the guidance of prominent and obsypywanych winning biochemists in the world (including Francis Crick and the Perutz).

So polite refusal to college did not work. Levitt went to Cambridge and so long waited outside the office Perutz, until he finally heard it. In 1967 he was accepted and immediately sent to Israel. There he met Warshela Arieh, with whom he developed a computer system for modeling large molecules.

Levitt has three of citizenship – the U.S., Britain and Israel. He points out that what Israel has had a huge impact on his life. Here he began his real scientific career here that he met his future wife – Rina. He married her in 1968, have three children. Today Michael Leviit is a professor at the Faculty of Medicine at Stanford University – is involved in structural biology. He is also a professor of computer science.

Peka

Arieh Warshel

University of Southern California

Although today is an American citizen, was born in Kibbutz Sde Nahum in 1940, eight years before the creation of the state of Israel. His biography is typical of Israeli boyfriend. First, military service, then studied. In the army, reaching the rank of captain. He studied chemistry at the oldest technical university in the country – Israel Institute of Technology Technion in Haifa. Received a bachelor’s degree in 1966.

master and doctoral degrees granted in 1967 and 1969, while studying at the Weizmann Institute of Science in Rehovot. Further studies took place in the U.S. at Harvard University. In the years 1972-1976 he worked at the Weizmann Institute and Laboratory of Molecular Biology in Cambridge, England. In 1976, he joined the group of professors at the University of Southern California. When asked what work can be used, for which he received the Nobel Prize, he said:

– can be used for example to design drugs or simply, as in my case, to satisfy their curiosity.

In 2009 he became a member of the U.S. National Academy of Sciences. The year before he was taken to the Royal Society of Chemistry. Pioneering work on the use of computers in biological research have also been recognized by the jury of the Annual Award of the International Society of Quantum Biology and Pharmacology.

kru