Martin Karplus, Michael Levitt and Arieh Warshel have been awarded the 2013 Nobel Prize in Chemistry "for the development of multiscale models for complex chemical systems", that is, they have made it possible to model complex chemical reactions using computers.
When light hits the retina in your eye, the free electrons in retinal are filled with energy, which changes the shape of the molecule. This is the first stage in the process of your sense of sight.
In 1972, Karplus and Warshel modelled retinal by developing a computer program that used quantum physics when it performed calculations on free electrons and then used classical physics for all electrons and all atomic nuclei. This was the first time that anyone had managed to bring about a chemically relevant collaboration between classical and quantum physics.
Enzymes are crucial to life, but in order to simulate the reactions of enzymes, a computer program would need classical and quantum physics to collaborate more smoothly. In 1976 Levitt and Warshel successfully simulated an enzymatic reaction, and this program would work for any kind of molecule.
The use of computers to simulate chemical reactions is increasingly important as a tool for understanding how reactions occur and the paths the reactants take. Computer programs can be used to optimize chemical process in order to produce better solar cells, improve catalysts in motor vehicles, develop more effective drugs, and so much more.
Reference:
http://www.nobelprize.org/nobel_prizes/chemistry/laureates/2013/popular-chemistryprize2013.pdf
Further Reading:
Enzymes: http://ausetute.com.au/members/enzymes.html
Proteins: http://ausetute.com.au/members/proteins.html
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