Martin Karplus (born March 15, 1930) is an Austrian-born American theoretical chemist. He is the Theodore William Richards Professor of Chemistry, emeritus at Harvard University. He is also Director of the Biophysical Chemistry Laboratory, a joint laboratory between the French National Center for Scientific Research and the University of Strasbourg, France. Karplus received the 2013 Nobel Prize in Chemistry, together with Michael Levitt and Arieh Warshel, for "the development of multiscale models for complex chemical systems"
After earning a AB degree from Harvard College in 1950, Karplus pursued graduate studies at the California Institute of Technology. He completed his Ph.D. in 1953 under Nobel Laureate Linus Pauling. According to Pauling, Karplus "was [his] most brilliant student." He was an NSF Postdoctoral Fellow at the University of Oxford (1953–55) where he worked with Charles Coulson. Karplus taught at the University of Illinois and then Columbia University(1960–67) before moving to Harvard in 1967. He established a research group in Strasbourg, France, after two sabbatical visits between 1992 and 1995 in the NMR laboratory of Jean-François Lefèvre at Louis Pasteur University in Strasbourg.
Karplus has contributed to many fields in physical chemistry, including chemical dynamics, quantum chemistry, and most notably, molecular dynamics simulations of biological macromolecules. He has also been influential in nuclear magnetic resonance spectroscopy, particularly to the understanding of nuclear spin-spin coupling and electron spin resonance spectroscopy. The Karplus equation describing the correlation between coupling constants and dihedral angles in protein nuclear magnetic resonance spectroscopy is named after him.
His current research is concerned primarily with the properties of molecules of biological interest. His group originated and currently coordinates the development of the CHARMM program for molecular dynamics simulations. He is a member of the International Academy of Quantum Molecular Science. He has supervised over 200 graduate students and postdoctoral researchers in his long career (since 1955) in the University of Illinois, Columbia University (1960 - 1967), and Harvard University. He is a recipient of the Christian B. Anfinsen Award, given in 2001.
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