Martin Karplus
Martin Karplus | |
---|---|
Born | |
Citizenship | American, Austrian[1] |
Alma mater | California Institute of Technology[1] |
Awards | Nobel Prize in Chemistry (2013)[1] |
Scientific career | |
Institutions | Harvard 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
- Ioan Andricioaei (University of California, Irvine)
- Donald Bashford (St. Jude Children's Research Hospital)
- Bernard Brooks (National Institutes of Health)
- Charles L. Brooks III [1] (University of Michigan, Ann Arbor)
- Axel T. Brünger [2] (Stanford University)
- Rafael Brüschweiler (Ohio State University)
- Matthias Buck (Case Western)
- David Case (Rutgers University)
- Rob Coalson (University of Pittsburg)
- Qiang Cui (University of Wisconsin-Madison)
- Aaron Dinner (University of Chicago)
- Roland Dunbrack (Fox Chase Cancer Center)
- Ron Elber (University of Texas)
- Martin J. Field (CEA Grenoble)
- Jiali Gao (University of Minnesota)
- Bruce Gelin (w/ Karplus and McCammon published the first MD simulation of BPTI)--"Dynamics of Folded Proteins")
- Hong Guo (University of Tennessee)
- Russ Hemley (Carnegie Institute for Science)
- Barry Honig (Columbia University)
- Rod Hubbard (University of York)
- Toshiko Ichiye (Georgetown University)
- Krzysztof Kuczera (University of Kansas)
- John Kuriyan [3] (University of California Berkeley)
- Themis Lazaridis (City College of New York)
- Ron Levy (Rutgers University)
- Jianpeng Ma (Baylor College of Medicine, Rice University)
- Alexander MacKerell (University of Maryland)
- J. Andrew McCammon [4] (UCSD) (w/ Karplus and Gelin) published the first MD simulation of BPTI (see above publication)
- Olivier Michielin (Swiss Institute of Bioinformatics, University of Lausanne and University Hospital of Lausanne), last PhD student of Martin Karplus.[6]
- Stephen Michnick (University of Montreal)
- Andrew Miranker (Yale University)
- B. Montgomery Pettitt (University of Texas Medical Branch [5], Baylor College of Medicine, The Gulf Coast Consortia (GCC))
- Carol Post (Purdue University)
- Jingzhi Pu (Indiana University-Purdue University Indianapolis)
- Peter Rossky (University of Texas)
- Benoît Roux [6] (University of Chicago)
- Andrej Šali [7] (University of California, San Francisco)
- Klaus Schulten (University of Illinois)
- Eugene Shakhnovich (Harvard University)
- Jeremy C. Smith (Oak Ridge National Laboratory)
- David J. States (The University of Texas Health Science Center at Houston)
- John Straub (Boston University)
- Collin Stultz (Massachusetts Institute of Technology)
- Bruce Tidor (Massachusetts Institute of Technology)
- Arjan van der Vaart (University of South Florida)
- Wilfred van Gunsteren (Eidgenössische Technische Hochschule Zürich)
- Michele Vendruscolo (University of Cambridge)
- Dennis Vitkup (Columbia University)
- Arieh Warshel [8] (University of Southern California) (co-recipient of the 2013 Nobel Prize in Chemistry, along with Karplus and Michael Levitt)
- Darrin York (Darrin York)
- Yaoqi Zhou (Griffith University)
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.
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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.
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: 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.
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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.
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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.
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ignored (|author=
suggested) (help) - Sali, A (1994). "How does a protein fold?". Nature. 369 (6477): 248–51. PMID 7710478.
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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.
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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.
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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.
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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.
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ignored (|author=
suggested) (help) - Dinner, AR (2001). "Uracil-DNA glycosylase acts by substrate autocatalysis". Nature. 413 (6857): 752–5. PMID 11607036.
{{cite journal}}
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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.
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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.
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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.
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Notes and references
- ^ 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.
- ^ Chang, Kenneth (October 9, 2013). "3 Researchers Win Nobel Prize in Chemistry". New York Times. Retrieved October 9, 2013.
- ^ 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.
- ^ 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.
- ^ Gaugusch, Georg (2011). Wer einmal war: Das jüdische Großbürgertum Wiens 1800-1938 A-K. Wien: Amalthea Signum. pp. 1358–1367. ISBN 978-3850027502.
- ^ 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).
External links
- 1930 births
- American chemists
- American Nobel laureates
- American people of Austrian-Jewish descent
- Austrian chemists
- Austrian Jews
- Austrian Nobel laureates
- Foreign Members of the Royal Society
- International Academy of Quantum Molecular Science members
- Guggenheim Fellows
- Harvard University alumni
- Harvard University faculty
- Jewish American scientists
- Jewish chemists
- Living people
- Members of the United States National Academy of Sciences
- Nobel laureates in Chemistry
- People who emigrated to escape Nazism
- Theoretical chemists
- University of Strasbourg faculty
- Columbia University faculty
- University of Illinois faculty