Publications

Found 39 results
Author Title Type [ Year(Asc)]
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2009
Zhuang Z., Jewett A.I, Soto P., Shea J.E.  2009.  The effect of surface tethering on the folding of the src-SH3 protein domain. Phys. Biol.. 6:15004.
Umezawa N..  2009.  Effects of barium incorporation into HfO2 gate dielectrics on reduction in charged defects: First-principles study. Appl. Phys. Lett.. 94:22903.
2008
Brown F.LH.  2008.  Elastic Modeling of Biomembranes and Lipid Bilayers. Annual Review of Physical Chemistry. 59:685-712.
Peles A., Janotti A., Van de Walle C.G.  2008.  Electrical activity of hydrogen impurities in GaSb: First-principles calculations. Phys. Rev. B. 78:35204.
Rondinelli J.M, Caffrey N.M, Sanvito S., Spaldin N.A.  2008.  Electronic properties of bulk and thin film SrRuO3: a search for the metal-insulator transition. Phys. Rev. B. 78:155107.
Penev E., Ireta J., Shea J.E..  2008.  Energetics of infinite homopolypeptide chains: a new look at commonly used force fields. J Phys Chem B. 112:6872.
Chrétien S., Metiu H..  2008.  Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other molecules. J. Chem. Phys.. 128:44714.
2007
García-Cervera C.J.  2007.  An Efficient Real Space Method for Orbital-Free Density-Functional Theory. Comm. Comp. Phys.. 2 (2):334-357.
2006
Janotti A., Segev D., Van de Walle C.G.  2006.  Effects of cation d states on III-nitride and II-oxide wide-band-gap semiconductors. Physical Review B. 74:45202.
Wei G., Shea J.-E.  2006.  Effects of solvent on the structure of the Alzheimer amyloid-b(25-35) peptide. Biophys. J.. 91:1638.
Friedel M., Baumketner A., Shea J.-E..  2006.  Effects of surface tethering on protein folding mechanisms. Proc. Nat. Acad. Sci. USA. 103:8396-8401.
Segev D., Van de Walle C.G.  2006.  Electronic structure of nitride surfaces. Journal of Crystal Growth, First International Symposium on Growth of Nitrides - ISGN-1. 300:199-203.
2005
Griffin M., Friedel M., Shea J.E..  2005.  Effects of frustration, confinement, and surface interactions on the dimerization of an off-lattice beta-barrel protein. J. Chem. Phys.. 123:174707.
Bernard C., Burch T., DeTar C., Gottlieb S., Heller U.M., Hetrick J., Levkova L., Maresca F., Renner D., Sugar R. et al..  2005.  The Equation of State for QCD with 2+1 Flavors of Quarks, The MILC Collaboration. Proceedings of Science. (Lattice 2005):156.

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