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 mentorLinus 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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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 |
Shigdel UK, Ovchinnikov V, Lee SJ, et al. (2020) The trajectory of intrahelical lesion recognition and extrusion by the human 8-oxoguanine DNA glycosylase. Nature Communications. 11: 4437 |
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 |
Hwang W, Karplus M. (2019) Structural basis for power stroke vs. Brownian ratchet mechanisms of motor proteins. Proceedings of the National Academy of Sciences of the United States of America |
Nam K, Karplus M. (2019) Insights into the origin of the high energy-conversion efficiency of F-ATPase. Proceedings of the National Academy of Sciences of the United States of America |
El Hage K, Hédin F, Gupta PK, et al. (2019) Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'. Elife. 8 |
Conti S, Karplus M. (2019) Estimation of the breadth of CD4bs targeting HIV antibodies by molecular modeling and machine learning. Plos Computational Biology. 15: e1006954 |
Buchko GW, Pulavarti SVSRK, Ovchinnikov V, et al. (2018) Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides. Protein Science : a Publication of the Protein Society |
Ovchinnikov V, Stone TA, Deber CM, et al. (2018) Structure of the multidrug transporter and its use for inhibitor peptide design. Proceedings of the National Academy of Sciences of the United States of America |