Martin Karplus

Harvard University, Cambridge, MA, United States 
electronic structure, geometry, and dynamics of molecules of chemical and biological interest
"Martin Karplus"
The Nobel Prize in Chemistry 2013 was awarded jointly to Martin Karplus, Michael Levitt and Arieh Warshel "for the development of multiscale models for complex chemical systems".

Mean distance: 6.6


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Ruth Hubbard research assistant 1950 Harvard
 (Chemistry of retinal)
John Gamble Kirkwood research assistant 1950-1951 Yale
Linus Carl Pauling grad student 1953 Caltech
 (A quantum-mechanical discussion of the bifluoride ion)
Charles Alfred Coulson post-doc Oxford


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Martin J. Field grad student
DAVID PERAHIA grad student Harvard
Lionel M. Raff grad student 1964 Columbia
Bernie Shizgal grad student 1968 Columbia
Gabriel Balint-Kurti grad student 1969 Columbia
Paul W. Brumer grad student 1972 Harvard
David L. Freeman grad student 1973 Harvard
Attila L. Szabo grad student 1973 Harvard
Klaus Schulten grad student 1974 Harvard
David A. Case grad student 1977 Harvard
Antonio C. Lasaga grad student 1977 Harvard
Peter J. Rossky grad student 1978 Harvard
Russell J. Hemley grad student 1983 Harvard
Jeffrey C. Hoch grad student 1976-1983 Harvard
David J. States grad student 1977-1983 Harvard (Computational Biology Tree)
Rob D. Coalson grad student 1984 Harvard (Astronomy Tree)
John Kuriyan grad student 1986 MIT
Sangyoub Lee grad student 1986 Harvard
Bruce Tidor grad student 1990 Harvard
Benoit Roux grad student 1985-1990 Harvard
Hong Guo grad student 1991 Harvard
Stefan Fischer grad student 1992 Harvard (Physics Tree)
Andrew D. Miranker grad student 1992 Harvard
Carla Mattos grad student 1993 MIT
Roland Dunbrack grad student 1987-1993 Harvard (Computer Science Tree)
Georgios Archontis grad student 1994 Harvard
Collin M. Stultz grad student 1997 Harvard
Herman W. T. van Vlijmen grad student 1997 Harvard
Stefan Boresch grad student 1990-1997 Harvard
Aaron R. Dinner grad student 1999 Harvard
Nathalie Reuter grad student 1996-1999 University of Strasbourg
Erik-Robert Evensen grad student 2000 Harvard
Dennis M. Vitkup grad student 1994-2000 Harvard
Louis Kuchnir grad student 2001 Harvard
Ryan B. Putzer grad student 2005 Harvard
Bernard  R Brooks post-doc Harvard
Ron Elber post-doc Harvard
Barry H. Honig post-doc Harvard
Stephen  W. Michnick post-doc Harvard
Adrian Mulholland post-doc Harvard
Isaiah Shavitt post-doc Harvard
Jeremy C. Smith post-doc Harvard
Michele Vendruscolo post-doc (Computational Biology Tree)
Simone Conti post-doc 2016- Harvard
Aravinda Munasinghe post-doc 2020-
Palliakaranai Thirumalai Narasimhan post-doc 1959-1962 Columbia
Cynthia J. Jameson post-doc 1963-1964 Columbia
Lee G. Pedersen post-doc 1966-1967 Harvard
R. Benny Gerber post-doc 1968-1969 Harvard
Keiji Morokuma post-doc 1968-1969 Harvard
Arieh Warshel post-doc 1969-1972 Harvard
Robert R. Birge post-doc 1973-1975 Harvard
J. Andrew McCammon post-doc 1976-1978 Harvard
Lawrence R. Pratt post-doc 1977-1979 Harvard
Ronald M. Levy post-doc 1976-1980 Harvard
Wilfred F. van Gunsteren post-doc 1978-1980 Harvard
Charanjit S Pangali post-doc 1979-1980 Harvard
Axel Brunger post-doc 1982-1983 Harvard
Russell J. Hemley post-doc 1983-1984 Harvard
Charles L. Brooks post-doc 1982-1985 Harvard
B. Montgomery Pettitt post-doc 1983-1985 Harvard
Jiali Gao post-doc 1987-1990 Harvard
John E. Straub post-doc 1987-1990 Harvard
Roland H Stote post-doc 1988-1992 Harvard
Jeffrey D. Evanseck post-doc 1994 Harvard
Amedeo Caflisch post-doc 1992-1994
Andrej Sali post-doc 1995 Harvard (Computational Biology Tree)
Themis Lazaridis post-doc 1992-1998 Harvard
Darrin M. York post-doc 1997-1998 Université Louis Pasteur, Strasbourg
Yaoqi Zhou post-doc 1995-2000 Harvard (Physics Tree)
Qiang Cui post-doc 1997-2001 Harvard
Markus Meuwly post-doc 2000-2002 Harvard
Ioan Andricioaei post-doc 2003 Harvard
Alfonso Jaramillo post-doc 2002-2003 Université Louis Pasteur and Harvard University (Physics Tree)
Yi Qin Gao post-doc 2002-2004 Harvard
Arjan van der Vaart post-doc 2001-2005 Harvard
Jingzhi Pu post-doc 2005-2010 Harvard
David L. Weaver research scientist 1972 Harvard (Physics Tree)
Jean-Louis Martin research scientist 1984-1985 Harvard
Eugene I. Shakhnovich research scientist 1991 Harvard
Alex MacKerell research scientist 1988-1992 Harvard
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Salehi SM, Pezzella M, Willard A, et al. (2023) Water dynamics around T vs R of hemoglobin from local hydrophobicity analysis. The Journal of Chemical Physics. 158: 025101
Conti S, Karplus M. (2022) A Computational Framework for Determining the Breadth of Antibodies Against Highly Mutable Pathogens. Methods in Molecular Biology (Clifton, N.J.). 2552: 399-408
Conti S, Ovchinnikov V, Karplus M. (2022) ppdx: Automated modeling of protein-protein interaction descriptors for use with machine learning. Journal of Computational Chemistry
Conti S, Ovchinnikov V, Faris JG, et al. (2022) Multiscale affinity maturation simulations to elicit broadly neutralizing antibodies against HIV. Plos Computational Biology. 18: e1009391
Ovchinnikov V, Munasinghe A, Karplus M. (2022) Molecular Simulation of Stapled Peptides. Methods in Molecular Biology (Clifton, N.J.). 2405: 283-301
Meuwly M, Karplus M. (2021) The functional role of the hemoglobin-water interface. Molecular Aspects of Medicine. 101042
Conti S, Kaczorowski KJ, Song G, et al. (2021) Design of immunogens to elicit broadly neutralizing antibodies against HIV targeting the CD4 binding site. Proceedings of the National Academy of Sciences of the United States of America. 118
Ovchinnikov V, Conti S, Karplus M. (2020) A restrained locally enhanced sampling method (RLES) for finding free energy minima in complex systems. The Journal of Chemical Physics. 153: 121103
Pezzella M, El Hage K, Niesen M, et al. (2020) Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin. The Journal of Physical Chemistry. B
Ovchinnikov V, Conti S, Lau EY, et al. (2020) Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model. Journal of Chemical Theory and Computation
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