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Martin Karplus

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Martin Karplus
Born (1930-03-15) March 15, 1930 (age 94)
Vienna, Austria[1]
CitizenshipAmerican, Austrian[1]
Alma materCalifornia Institute of Technology[1]
AwardsNobel Prize in Chemistry (2013)[1]
Scientific career
InstitutionsHarvard University, Université de Strasbourg,[1] Columbia University, University of Illinois

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".[1][2]

Biography

Karplus was a child when his family fled from the Nazi-occupation in Austria a few days after the Anschluss in March 1938, spending several months in Zürich, Switzerland and La Baule, France before immigrating to the United States.[3] Prior to their immigration to the United States, the family was known for being "an intellectual and successful secular Jewish family" in Vienna.[4] Already his grandfather, Johann Paul Karplus (1866-1936) was a highly acclaimed professor of psychiatry at the University of Vienna.[5] He is nephew, by marriage, of the famous sociologist, philosopher and musicologist Theodor W. Adorno and grandnephew of the physicist Robert von Lieben. His brother, Robert Karplus, was an internationally recognized physicist and educator at University of California, Berkeley.

Career

After earning a BA degree from Harvard College in 1950, Karplus pursued graduate studies at the California Institute of Technology. He completed his Ph.D. in 1953, while working with Linus Pauling. He was an NSF Postdoctoral Fellow at Oxford University (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.

Contributions

Karplus has contributed to many fields in physical chemistry, including nuclear magnetic resonance spectroscopy, 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.

Current research

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.

Books

  • CL Brooks III, M Karplus, BM Pettitt. Proteins: A Theoretical Perspective of Dynamics, Structure and Thermodynamics, Volume LXXI, in: Advances in Chemical Physics, John Wiley & Sons, New York 1988.
  • Martin Karplus and Richard N. Porter. Atoms and Molecules: An Introduction for Students of Physical Chemistry. W. A. Benjamin, New York 1970.

Notable Students and Postdoctoral Fellows

Publications

  • Karplus, Martin (1959). "Contact Electron-Spin Coupling of Nuclear Magnetic Moments". J. Chem. Phys. 30 (1): 11–15. Bibcode:1959JChPh..30...11K. doi:10.1063/1.1729860.
  • Karplus, Martin (1963). "Vicinal Proton Coupling in Nuclear Magnetic Resonance". J. Am. Chem. Soc. 85 (18): 2870–2871. doi:10.1021/ja00901a059.
  • Warshel, A. (1972). "Calculation of ground and excited state potential surfaces of conjugated molecules. I. Formulation and parametrization". Journal of the American Chemical Society. 94 (16): 5612–5625. doi:10.1021/ja00771a014. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Brooks, Bernard R. (1983). "CHARMM: A program for macromolecular energy, minimization, and dynamics calculations". Journal of Computational Chemistry. 4 (2): 187–217. doi:10.1002/jcc.540040211. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Brünger, AT (1987). "Crystallographic R factor refinement by molecular dynamics". Science (New York, N.Y.). 235 (4787): 458–60. PMID 17810339. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Field, Martin J. (1990). "A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations". Journal of Computational Chemistry. 11 (6): 700–733. doi:10.1002/jcc.540110605. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Bashford, Donald (1990). "pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model". Biochemistry. 29 (44): 10219–10225. doi:10.1021/bi00496a010. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Dunbrack RL, Jr (1993). "Backbone-dependent rotamer library for proteins. Application to side-chain prediction". Journal of molecular biology. 230 (2): 543–74. PMID 8464064. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Sali, A (1994). "How does a protein fold?". Nature. 369 (6477): 248–51. PMID 7710478. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • MacKerell,, A. D. (1998). "All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins". The Journal of Physical Chemistry B. 102 (18): 3586–3616. doi:10.1021/jp973084f. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)CS1 maint: extra punctuation (link)
  • Ma, J (2000). "A dynamic model for the allosteric mechanism of GroEL". Journal of molecular biology. 302 (2): 303–13. PMID 10970735. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Dinner, AR (2000). "Understanding protein folding via free-energy surfaces from theory and experiment". Trends in biochemical sciences. 25 (7): 331–9. PMID 10871884. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Karplus, M (2000). "Aspects of Protein Reaction Dynamics: Deviations from Simple Behavior". J. Phys. Chem. B. 104: 11–27.
  • Cui, Q (2001). "Triosephosphate isomerase: a theoretical comparison of alternative pathways". Journal of the American Chemical Society. 123 (10): 2284–90. PMID 11456876. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Dinner, AR (2001). "Uracil-DNA glycosylase acts by substrate autocatalysis". Nature. 413 (6857): 752–5. PMID 11607036. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Karplus, M (2005). "Molecular dynamics and protein function". Proceedings of the National Academy of Sciences of the United States of America. 102 (19): 6679–85. PMID 15870208. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • Gao, YQ (2005). "A structure-based model for the synthesis and hydrolysis of ATP by F1-ATPase". Cell. 123 (2): 195–205. PMID 16239139. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)
  • M. Karplus (2006). "Spinach on the Ceiling: A Theoretical Chemist's Return to Biology". Annual Review of Biophysics and Biomolecular Structure. 35 (1): 1–47. doi:10.1146/annurev.biophys.33.110502.133350. PMID 16689626.
  • Brooks, BR (2009). "CHARMM: the biomolecular simulation program". Journal of computational chemistry. 30 (10): 1545–614. PMID 19444816. {{cite journal}}: Unknown parameter |coauthors= ignored (|author= suggested) (help)

Notes and references

  1. ^ a b c d e f "The Nobel Prize in Chemistry 2013" (Press release). Royal Swedish Academy of Sciences. October 9, 2013. Retrieved October 9, 2013.
  2. ^ Chang, Kenneth (October 9, 2013). "3 Researchers Win Nobel Prize in Chemistry". New York Times. Retrieved October 9, 2013.
  3. ^ Karplus, M (2006). "Spinach on the ceiling: a theoretical chemist's return to biology". Annual review of biophysics and biomolecular structure. 35: 1–47. PMID 16689626.
  4. ^ Fuller, Robert (2002). A Love of Discovery: Science Education - The Second Career of Robert Karplus. New York: Kluwer Academic. p. 293. ISBN 0-306-46687-2.
  5. ^ Gaugusch, Georg (2011). Wer einmal war: Das jüdische Großbürgertum Wiens 1800-1938 A-K. Wien: Amalthea Signum. pp. 1358–1367. ISBN 978-3850027502.
  6. ^ Template:Fr Sophie Badoux, "L'équipe du Prof. Olivier Michielin, héritière directe des théories du nouveau prix Nobel de chimie", www.unil.ch, 9 October 2013 (page visited on 11 October 2013).

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