Education
- Postdoctoral, Los Alamos National Laboratory, Los Alamos Theoretical Chemistry. 2002-2005
- Postdoctoral, The Scripps Research Insitute, La Jolla Molecular Biology. 1999-2002
- Ph.D., University of Delaware, Newark. Chemical Engineering. 1999
- M.S., University of Michigan, Ann Arbor. Chemical Engineering. 1994
- B.S., Indian Insitute of Technology, Madras, India. Chemical Engineering. 1992
Research Interests
We explore the physical chemistry of aqueous systems using
statistical mechanical theory and computer simulations. We are
currently developing theory and simulation approaches to understand ion
specific effects in biology, metal-protein interactions, and the role
of promoters in the formation
of natural gas-hydrates. We also collaborate with experimentalists to
understand the role of glycosylation on voltage sensing in ion
channels.
Selected Publications
- S. Merchant and D. Asthagiri, "Thermodynamically dominant hydration structures of aqueous ions", Journal of Chemical Physics, 130, 195102, 2009. [Featured in the Virtual Journal of Biological Physics Research]
- P. D. Dixit, S. Merchant, D. Asthagiri, "Ion selectivity in
the KcsA potassium channel from the perspective of the ion binding
site", Biophysical Journal, 96, 2138-2145, 2009.
- D. Asthagiri, S. Merchant, L. R. Pratt, “Role of
attractive methane-water interactions in the potential of mean force
between methane molecules in water”, Journal of Chemical Physics, 128, 244512, 2008. [Featured in the Virtual Journal of Biological Physics Research]
- D. Asthagiri, H. S. Ashbaugh, A. Piryatinski, M. E. Paulaitis, L. R. Pratt, “Non-van der Waals treatment of the hydrophobic solubilities of CF4, Journal of the American Chemical Society, 129, 10133-10140, 2007.
- D. Asthagiri, L. R. Pratt, and M. E. Paulaitis, “Role of
fluctuations in the snug-fit mechanism of KcsA channel
selectivity”, Journal of Chemical Physics, 125, 024701, 2006. [Featured in the Virtual Journal of Biological Physics Research]
|
