Publications

Found 29 results
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Buluc A, Duriakova E, Fox A, Gilbert JR, Kamil S, Lugowski A, Oliker L, Williams S.  2013.  High-productivity and high-performance analysis of filtered semantic graphs. Parallel & Distributed Processing (IPDPS), 2013 IEEE 27th International Symposium on.
Brown FLH.  2011.  Continuum simulations of biomembrane dynamics and the importance of hydrodynamic effects. Quarterly Reviews of Biophysics. 1-Jul-11:-.
Brown F.LH.  2008.  Elastic Modeling of Biomembranes and Lipid Bilayers. Annual Review of Physical Chemistry. 59:685-712.
Brgoch J, DenBaars SP, Seshadri R.  2013.  Proxies from Ab Initio Calculations for Screening Efficient Ce3+ Phosphor Hosts. The Journal of Physical Chemistry C. 117:17955–17959.
Brandt EG.  2013.  Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.
Bousquet E, Spaldin NA, Delaney KT.  2010.  Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity. Phys. Rev. Lett.. 106:107202.
Bousquet E, Spaldin N.  2010.  J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B. 82:220402.
Botana J, Miao M-S.  2014.  Pressure-stabilized lithium caesides with caesium anions beyond the- 1 state. Nature communications. 5
Bosse A.W, Sides S.W, Katsov K, García-Cervera C.J, Fredrickson G.H.  2006.  Defects and their removal in block copolymer thin film simulations. Journal of polymer science. Part B, Polymer physics. -44:2495.
Bleiholder C., Wyttenbach T., Bowers M.T.  2011.  A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections. Int. J. Mass Spectrom. -:inpress.
Bleiholder C, Dupuis NF, Bowers MThomas.  2013.  Dimerization of Chirally Mutated Enkephalin Neurotransmitters: Implications for Peptide and Protein Aggregation Mechanisms. The Journal of Physical Chemistry B. 117:1770.
Bleiholder C, Do TD, Wu C, Economou NJ, Bernstein SS, Buratto SK, Shea J-E, Bowers MT.  2013.  Ion Mobility Spectrometry Reveals the Mechanism of Amyloid Formation of A beta (25–35) and Its Modulation by Inhibitors at the Molecular Level: Epigallocatechin Gallate and Scyllo-inositol. Journal of the American Chemical Society. 135:16926–16937.
Bjaalie L, Himmetoglu B, Weston L, Janotti A, Van de Walle GC.  2014.  Oxide interfaces for novel electronic applications. New Journal of Physics. 16:025005.
Bezzola A., Bales B., Alkire R.C, Petzold L.R.  2013.  Atomic Scale Resolution for Stochastic Simulations of Electrodeposition at the Micrometer Scale. Journal of ECS. (in press)
Bezzola A, Bales BB, Petzold LR, Alkire RC.  2014.  Numerical Scaling Studies of Kinetically-Limited Electrochemical Nucleation and Growth with Accelerated Stochastic Simulations. Journal of The Electrochemical Society. 161:E3001–E3008.
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.
Bellesia G, Shea J-E.  2009.  Effect of beta-sheet propensity on peptide aggregation.. J. Chem. Phys.. 130:145103.
Bellesia G, Shea J-E.  2009.  Diversity of kinetic pathways in amyloid fibril formation. J. Chem. Phys.. 131:111102.
Bellesia G., Shea J.-E..  2008.  Structure and stability of amyloid fibrils formed from synthetic beta-peptides. Frontiers in Bioscience. 13(9):6957-6965.
Bellesia G., Jewett A.I, Shea J.-E..  2010.  Sequence periodicity and secondary structure propensity in model proteins. Protein Science. 19:141.
Bellesia G., Lampoudi S., . S, Shea J.-E..  2008.  Computational Methods in Nanostructure Design: Replica Exchange Simulations of Self-Assembling Peptides. G.Bellesia, S. Lampoudi, S. & J.-E. Shea. 474:9.
Bell S, B Jack K, Oliva P, Severen C, Walker E.  2014.  Uncertainty, self-selection and the design of subsidies: Evidence from Zambia.
Baumketner A., Shea J.-E..  2005.  Free Energy Landscapes for Amyloidogenic Tetrapeptides Dimerization. Biophysical Journal. 89:1493-1503.
Baumketner A., Shea J.-E..  2006.  The thermodynamics of folding of a beta hairpin peptide probed through replica exchange molecular dynamics simulations. Theor. Chem. Acc.. 116:262.
Baumketner A., Bernstein S.L, Wyttenbach T., Lazo N.D, Teplow D.B, Bowers M.T, Shea J.-E..  2006.  Structure of the 21-30 fragment of amyloid Beta protein. Protein Science. 15:1239.

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