Martin Karplus
Affiliations: | Harvard University, Cambridge, MA, United States |
Area:
electronic structure, geometry, and dynamics of molecules of chemical and biological interestWebsite:
http://www.chem.harvard.edu/research/faculty/martin_karplus.phpGoogle:
"Martin Karplus"Bio:
http://www.nasonline.org/member-directory/members/53964.html
http://resolver.caltech.edu/CaltechETD:etd-01072004-094608
http://dx.doi.org/10.1146/annurev.biophys.33.110502.133350
http://www.scribd.com/doc/75840698/Martin-Karplus-Molecular-Dynamics-of-Biological-Macromolecules-A-Brief-History-and-Perspective
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 | S | N | B | C | P |
Parents
Sign in to add mentorRuth 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 |
Children
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Publications
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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 |