Martin Karplus
Encyclopedia
Martin Karplus is an Austria
n-born American
theoretical chemist. He has been Theodore William Richards Professor of Chemistry
at Harvard University
since 1979. He is also Director of the Biophysical Chemistry Laboratory, a joint laboratory of CNRS and Universite de Strasbourg in Strasbourg
, France.
He received a BA degree from Harvard University
in 1950, and a Ph.D. from California Institute of Technology
in 1953 while working with Linus Pauling
. He was an NSF
Postdoctoral Fellow at Oxford University (1953–55) where he worked with Charles Coulson
. His brother, Robert Karplus
, was an internationally recognised physicist and educator at University of California, Berkeley
.
, and most notably, the molecular dynamics
simulations of biological macromolecules.
Karplus has made varied contributions to 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 constant
s and dihedral angles in protein nuclear magnetic resonance spectroscopy
is named after him.
With Andrew McCammon
and Bruce Gelin, he published the first molecular dynamics
simulation of a protein, the Bovine Pancreatic Trypsin Inhibitor BPTI.
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
, and Harvard University
.
Austria
Austria , officially the Republic of Austria , is a landlocked country of roughly 8.4 million people in Central Europe. It is bordered by the Czech Republic and Germany to the north, Slovakia and Hungary to the east, Slovenia and Italy to the south, and Switzerland and Liechtenstein to the...
n-born American
United States
The United States of America is a federal constitutional republic comprising fifty states and a federal district...
theoretical chemist. He has been Theodore William Richards Professor of Chemistry
Chemistry
Chemistry is the science of matter, especially its chemical reactions, but also its composition, structure and properties. Chemistry is concerned with atoms and their interactions with other atoms, and particularly with the properties of chemical bonds....
at Harvard University
Harvard University
Harvard University is a private Ivy League university located in Cambridge, Massachusetts, United States, established in 1636 by the Massachusetts legislature. Harvard is the oldest institution of higher learning in the United States and the first corporation chartered in the country...
since 1979. He is also Director of the Biophysical Chemistry Laboratory, a joint laboratory of CNRS and Universite de Strasbourg in Strasbourg
Strasbourg
Strasbourg is the capital and principal city of the Alsace region in eastern France and is the official seat of the European Parliament. Located close to the border with Germany, it is the capital of the Bas-Rhin département. The city and the region of Alsace are historically German-speaking,...
, France.
He received a BA degree from Harvard University
Harvard University
Harvard University is a private Ivy League university located in Cambridge, Massachusetts, United States, established in 1636 by the Massachusetts legislature. Harvard is the oldest institution of higher learning in the United States and the first corporation chartered in the country...
in 1950, and a Ph.D. from California Institute of Technology
California Institute of Technology
The California Institute of Technology is a private research university located in Pasadena, California, United States. Caltech has six academic divisions with strong emphases on science and engineering...
in 1953 while working with Linus Pauling
Linus Pauling
Linus Carl Pauling was an American chemist, biochemist, peace activist, author, and educator. He was one of the most influential chemists in history and ranks among the most important scientists of the 20th century...
. He was an NSF
National Science Foundation
The National Science Foundation is a United States government agency that supports fundamental research and education in all the non-medical fields of science and engineering. Its medical counterpart is the National Institutes of Health...
Postdoctoral Fellow at Oxford University (1953–55) where he worked with Charles Coulson
Charles Coulson
Charles Alfred Coulson FRS was an applied mathematician, theoretical chemist and religious author.His major scientific work was as a pioneer of the application of the quantum theory of valency to problems of molecular structure, dynamics and reactivity...
. His brother, Robert Karplus
Robert Karplus
Robert Karplus was a theoretical physicist and leader in the field of science education.-Early life:Robert Karplus was born in Vienna, where he lived until the German occupation of Austria in 1938. He emigrated with his mother and brother to escape the Anschluss...
, was an internationally recognised physicist and educator at University of California, Berkeley
University of California, Berkeley
The University of California, Berkeley , is a teaching and research university established in 1868 and located in Berkeley, California, USA...
.
Contributions
Martin Karplus has made significant contributions to many fields in physical chemistry, including the nuclear magnetic resonance spectroscopy, chemical dynamics, quantum chemistryQuantum chemistry
Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems...
, and most notably, the molecular dynamics
Molecular dynamics
Molecular dynamics is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms...
simulations of biological macromolecules.
Karplus has made varied contributions to nuclear magnetic resonance spectroscopy, particularly to the understanding of nuclear spin-spin coupling and electron spin resonance spectroscopy. The Karplus equation
Karplus equation
The Karplus equation, named after Martin Karplus, describes the correlation between 3J-coupling constants and dihedral torsion angles in nuclear magnetic resonance spectroscopy:J = A \cos^2 \phi + B \cos\,\phi + C...
describing the correlation between coupling constant
Coupling constant
In physics, a coupling constant, usually denoted g, is a number that determines the strength of an interaction. Usually the Lagrangian or the Hamiltonian of a system can be separated into a kinetic part and an interaction part...
s and dihedral angles in protein nuclear magnetic resonance spectroscopy
Protein nuclear magnetic resonance spectroscopy
Nuclear magnetic resonance spectroscopy of proteins is a field of structural biology in which NMR spectroscopy is used to obtain information about the structure and dynamics of proteins. The field was pioneered by Richard R. Ernst and Kurt Wüthrich, among others...
is named after him.
With Andrew McCammon
J. Andrew McCammon
James Andrew McCammon is an American physical chemist known for his application of principles and methods from theoretical and computational chemistry to biological systems. A professor at the University of California, San Diego , McCammon's research focuses on the theoretical aspects of...
and Bruce Gelin, he published the first molecular dynamics
Molecular dynamics
Molecular dynamics is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms...
simulation of a protein, the Bovine Pancreatic Trypsin Inhibitor BPTI.
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 CHARMMCHARMM
CHARMM is the name of a widely used set of force fields for molecular dynamics as well as the name for the molecular dynamics simulation and analysis package associated with them...
program for molecular dynamics
Molecular dynamics
Molecular dynamics is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms...
simulations.
He is a member of the International Academy of Quantum Molecular Science
International Academy of Quantum Molecular Science
The International Academy of Quantum Molecular Science is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members were Raymond Daudel, Per-Olov Löwdin, Robert G. Parr, John...
. He has supervised over 200 graduate students and postdoctoral researchers in his long career (since 1955) in the University of Illinois
University of Illinois at Urbana-Champaign
The University of Illinois at Urbana–Champaign is a large public research-intensive university in the state of Illinois, United States. It is the flagship campus of the University of Illinois system...
, Columbia University
Columbia University
Columbia University in the City of New York is a private, Ivy League university in Manhattan, New York City. Columbia is the oldest institution of higher learning in the state of New York, the fifth oldest in the United States, and one of the country's nine Colonial Colleges founded before the...
, and Harvard University
Harvard University
Harvard University is a private Ivy League university located in Cambridge, Massachusetts, United States, established in 1636 by the Massachusetts legislature. Harvard is the oldest institution of higher learning in the United States and the first corporation chartered in the country...
.
Notable students
- Bruce Gelin (w/ Karplus and McCammon published first MDMolecular dynamicsMolecular dynamics is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms...
simulation of BPTI)--"Dynamics of Folded Proteins") - J. Andrew McCammonJ. Andrew McCammonJames Andrew McCammon is an American physical chemist known for his application of principles and methods from theoretical and computational chemistry to biological systems. A professor at the University of California, San Diego , McCammon's research focuses on the theoretical aspects of...
http://mccammon.ucsd.edu/ (UCSD) (w/ Karplus and Gelin published first MDMolecular dynamicsMolecular dynamics is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms...
simulation of BPTI (see above publication) - B. Montgomery PettittB. Montgomery PettittB. Montgomery "Monte" Pettitt is the Hugh Roy and Lille Cranz Cullen Distinguished Professor of Chemistry at the University of Houston's Department of Chemistry, director of Houston's Institute for Molecular Design, chair of the , and a faculty member of the program at Baylor College of...
http://www.chem.uh.edu/Faculty/Pettitt/ (University of HoustonUniversity of HoustonThe University of Houston is a state research university, and is the flagship institution of the University of Houston System. Founded in 1927, it is Texas's third-largest university with nearly 40,000 students. Its campus spans 667 acres in southeast Houston, and was known as University of...
, Baylor College of MedicineBaylor College of MedicineBaylor College of Medicine, located in the Texas Medical Center in Houston, Texas, USA, is a highly regarded medical school and leading center for biomedical research and clinical care...
, The W.M. Keck Center for Interdisciplinary Bioscience Training) - Jianpeng Ma (Baylor College of MedicineBaylor College of MedicineBaylor College of Medicine, located in the Texas Medical Center in Houston, Texas, USA, is a highly regarded medical school and leading center for biomedical research and clinical care...
, Rice UniversityRice UniversityWilliam Marsh Rice University, commonly referred to as Rice University or Rice, is a private research university located on a heavily wooded campus in Houston, Texas, United States...
) - Jeremy C. SmithJeremy C. Smith (scientist)Jeremy C. Smith is a British-born molecular biophysicist.He obtained his Ph.D. in Biophysics from the University of London and was a Post-Doctoral Associate and Lecturer at Harvard University in the group of Martin Karplus.Smith has built up research groups in three different countries...
(Oak Ridge National LaboratoryOak Ridge National LaboratoryOak Ridge National Laboratory is a multiprogram science and technology national laboratory managed for the United States Department of Energy by UT-Battelle. ORNL is the DOE's largest science and energy laboratory. ORNL is located in Oak Ridge, Tennessee, near Knoxville...
) - David J. StatesDavid StatesDavid J. States M.D., Ph.D. is a at the University of Michigan. His research group is using computational methods to understand the human genome and how it relates to the human proteome. He is the Director of the Michigan NIH and a Senior Scientist in the ....
(The University of Texas Health Science Center at HoustonThe University of Texas Health Science Center at HoustonThe University of Texas Health Science Center at Houston was created by the UT System Board of Regents and supported by the Texas Legislature in 1972...
) - Martin J. Field http://www.ibs.fr/ (CEA Grenoble)
- Barry Honig http://biochemistry.hs.columbia.edu/faculty/honig.html (Columbia UniversityColumbia UniversityColumbia University in the City of New York is a private, Ivy League university in Manhattan, New York City. Columbia is the oldest institution of higher learning in the state of New York, the fifth oldest in the United States, and one of the country's nine Colonial Colleges founded before the...
)