Photo credit: Bengt Nyman — File:Arieh Warshel 6 2013.jpg (Wikimedia Commons) · CC BY 2.0
Arieh Warshel
born 1940 · United States, Israel · Contemporary
Nobel Chemistry 2013
Israeli-American computational chemist at USC, co-inventor of QM/MM methods and pioneer of computer simulation of enzymatic reactions.
Nobel Prize work
With Martin Karplus and Michael Levitt, he developed multiscale models that treat the reactive core of a molecule with quantum mechanics while describing the surrounding protein and solvent with classical mechanics — the QM/MM approach. This made it possible for the first time to simulate how enzymes catalyse reactions inside real proteins.
Fields
Related topics
Molecular dynamics (MD)
How numerical integration of Newton’s equations turns an interaction model into molecular trajectories and ensemble averages.
Monte Carlo, QM/MM models
Two complementary tools for molecular systems: statistical sampling by Monte Carlo and a quantum/classical partition for chemically active regions.