Martin Karplus, Michael Levitt, and Ariel Warshel have won this year's Nobel Prize in chemistry.
The Swedish Academy of Sciences said the three molecular chemists "laid the foundation for the powerful programs that are used to understand and predict chemical processes."
Karplus, a U.S.-Austrian citizen; Levitt, a U.S.-British citizen; and Warshel, U.S.-Israeli, will share the prize worth 8 million crowns ($1.25 million).
Chemistry is the third of this year's Nobel prizes.
The prizes for achievements in science, literature, and peace were first awarded in 1901 in accordance with the will of Swedish industrialist and dynamite inventor Alfred Nobel.
The most anticipated, the peace prize, will be announced in Oslo on October 11.
With reporting by Reuters and AFP