Nobel Prize Laureate Martin Karplus during press conference in Stockholm, December 2013
March 15, 1930 |
Université de Strasbourg,
University of Illinois
|Alma mater||California Institute of Technology|
|Doctoral advisor||Linus Pauling|
|Notable awards||Nobel Prize in Chemistry (2013)|
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 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. Prior to their immigration to the United States, the family was known for being "an intellectual and successful secular Jewish family" in Vienna. Already his grandfather, Johann Paul Karplus (1866-1936) was a highly acclaimed professor of psychiatry at the University of Vienna. 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.
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 under Nobel Laureate Linus Pauling. According to Pauling, Karplus "was [his] most brilliant student.". 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.
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.
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.
- 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 (in Alphabetical Order)
- Ioan Andricioaei (University of California, Irvine)
- Georgios Archontis (University of Cyprus)
- Donald Bashford (St. Jude Children's Research Hospital)
- John Brady (Cornell University)
- Bernard Brooks (National Institutes of Health)
- Charles L. Brooks III  (University of Michigan, Ann Arbor)
- Paul Brumer (University of Toronto)
- Axel T. Brünger  (Stanford University)
- Rafael Brüschweiler (Ohio State University)
- Matthias Buck (Case Western)
- Amedeo Caflisch (University of Zurich)
- David Case (Rutgers University)
- Rob Coalson (University of Pittsburgh)
- 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 (IBS)
- 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 Institution of Washington)
- Barry Honig (Columbia University)
- Rod Hubbard (University of York)
- Toshiko Ichiye (Georgetown University)
- Krzysztof Kuczera (University of Kansas)
- John Kuriyan  (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  (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.
- Stephen Michnick (University of Montreal)
- Andrew Miranker (Yale University)
- Lennart Nilsson (Karolinska Institutet)
- Iwao Ohmine (Institute for Molecular Science, JP)
- Richard W. Pastor (National Institutes of Health)
- Lee Pedersen (University of North Carolina)
- B. Montgomery Pettitt (University of Texas Medical Branch , 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  (University of Chicago)
- Andrej Šali  (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  (University of Southern California) (co-recipient of the 2013 Nobel Prize in Chemistry, along with Karplus and Michael Levitt)
- Darrin York (Rutgers University)
- Yaoqi Zhou (Griffith University)
- 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.; Karplus, M. (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.
- Brooks, Bernard R.; Bruccoleri, Robert E.; Olafson, Barry D.; States, David J.; Swaminathan, S.; Karplus, Martin (1983). "CHARMM: A program for macromolecular energy, minimization, and dynamics calculations". Journal of Computational Chemistry 4 (2): 187–217. doi:10.1002/jcc.540040211.
- Brünger, AT; Kuriyan, J; Karplus, M (1987). "Crystallographic R factor refinement by molecular dynamics.". Science 235 (4787): 458–60. doi:10.1126/science.235.4787.458. PMID 17810339.
- Pettitt, BM; Karplus, M (1987). "The structure of water surrounding a peptide: a theoretical approach.". Chem Phys Lett 136 (5): 383–6.
- Pettitt, BM; Karplus, M (1985). "The potential of mean force surface for the alanine dipeptide in aqueous solution: a theoretical approach". Chem Phys Lett 121 (3): 194–201.
- Field, Martin J.; Bash, Paul A.; Karplus, Martin (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.
- Bashford, Donald; Karplus, Martin (1990). "pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model". Biochemistry 29 (44): 10219–10225. doi:10.1021/bi00496a010.
- Dunbrack RL, Jr; Karplus, M (1993). "Backbone-dependent rotamer library for proteins. Application to side-chain prediction.". Journal of Molecular Biology 230 (2): 543–74. doi:10.1006/jmbi.1993.1170. PMID 8464064.
- Sali, A; Shakhnovich, E; Karplus, M (1994). "How does a protein fold?". Nature 369 (6477): 248–51. doi:10.1038/369248a0. PMID 7710478.
- MacKerell,, A. D.; Bashford, D.; Bellott, ; Dunbrack,, R. L.; Evanseck, J. D.; Field, M. J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F. T. K.; Mattos, C.; Michnick, S.; Ngo, T.; Nguyen, D. T.; Prodhom, B.; Reiher, W. E.; Roux, B.; Schlenkrich, M.; Smith, J. C.; Stote, R.; Straub, J.; Watanabe, M.; Wiórkiewicz-Kuczera, J.; Yin, D.; Karplus, M. (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.
- Ma, J; Sigler, PB; Xu, Z; Karplus, M (2000). "A dynamic model for the allosteric mechanism of GroEL.". Journal of Molecular Biology 302 (2): 303–13. doi:10.1006/jmbi.2000.4014. PMID 10970735.
- Dinner, AR; Sali, A; Smith, LJ; Dobson, CM; Karplus, M (2000). "Understanding protein folding via free-energy surfaces from theory and experiment.". Trends in Biochemical Sciences 25 (7): 331–9. PMID 10871884.
- Karplus, M (2000). "Aspects of Protein Reaction Dynamics: Deviations from Simple Behavior". J. Phys. Chem. B. 104: 11–27.
- Cui, Q; Karplus, M (2001). "Triosephosphate isomerase: a theoretical comparison of alternative pathways.". Journal of the American Chemical Society 123 (10): 2284–90. PMID 11456876.
- Dinner, AR; Blackburn, GM; Karplus, M (2001). "Uracil-DNA glycosylase acts by substrate autocatalysis.". Nature 413 (6857): 752–5. doi:10.1038/35099587. PMID 11607036.
- Karplus, M; Kuriyan, J (2005). "Molecular dynamics and protein function.". Proceedings of the National Academy of Sciences of the United States of America 102 (19): 6679–85. doi:10.1073/pnas.0408930102. PMID 15870208.
- Gao, YQ; Yang, W; Karplus, M (2005). "A structure-based model for the synthesis and hydrolysis of ATP by F1-ATPase.". Cell 123 (2): 195–205. doi:10.1016/j.cell.2005.10.001. PMID 16239139.
- 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; Brooks CL, 3rd; Mackerell AD, Jr; Nilsson, L; Petrella, RJ; Roux, B; Won, Y; Archontis, G; Bartels, C; Boresch, S; Caflisch, A; Caves, L; Cui, Q; Dinner, AR; Feig, M; Fischer, S; Gao, J; Hodoscek, M; Im, W; Kuczera, K; Lazaridis, T; Ma, J; Ovchinnikov, V; Paci, E; Pastor, RW; Post, CB; Pu, JZ; Schaefer, M; Tidor, B; Venable, RM; Woodcock, HL; Wu, X; Yang, W; York, DM; Karplus, M (2009). "CHARMM: the biomolecular simulation program.". Journal of computational chemistry 30 (10): 1545–614. doi:10.1002/jcc.21287. PMC 2810661. PMID 19444816.
Notes and references
- "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. doi:10.1146/annurev.biophys.33.110502.133350. 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.
- (French) 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).
- Martin Karplus academic genealogy and list of PhD & Postdoc trainees
- Karplus research group at Harvard University
- Biophysical Chemistry Laboratory at University of Strasbourg
- Biography at Michigan State University website
- Martin Karplus photography website