Publications
Found 29 results
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High-productivity and high-performance analysis of filtered semantic graphs. Parallel & Distributed Processing (IPDPS), 2013 IEEE 27th International Symposium on.
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2013. Continuum simulations of biomembrane dynamics and the importance of hydrodynamic effects. Quarterly Reviews of Biophysics. 1-Jul-11:-.
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2011. Elastic Modeling of Biomembranes and Lipid Bilayers. Annual Review of Physical Chemistry. 59:685-712.
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2008. Proxies from Ab Initio Calculations for Screening Efficient Ce3+ Phosphor Hosts. The Journal of Physical Chemistry C. 117:17955–17959.
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2013. Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.
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2013. Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity. Phys. Rev. Lett.. 106:107202.
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2010. J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B. 82:220402.
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2010. Pressure-stabilized lithium caesides with caesium anions beyond the- 1 state. Nature communications. 5
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2014. Defects and their removal in block copolymer thin film simulations. Journal of polymer science. Part B, Polymer physics. -44:2495.
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2006. A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections. Int. J. Mass Spectrom. -:inpress.
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2011. Dimerization of Chirally Mutated Enkephalin Neurotransmitters: Implications for Peptide and Protein Aggregation Mechanisms. The Journal of Physical Chemistry B. 117:1770.
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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.
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2013. Oxide interfaces for novel electronic applications. New Journal of Physics. 16:025005.
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2014. Atomic Scale Resolution for Stochastic Simulations of Electrodeposition at the Micrometer Scale. Journal of ECS. (in press)
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2013. Numerical Scaling Studies of Kinetically-Limited Electrochemical Nucleation and Growth with Accelerated Stochastic Simulations. Journal of The Electrochemical Society. 161:E3001–E3008.
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2014. 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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2005. Effect of beta-sheet propensity on peptide aggregation.. J. Chem. Phys.. 130:145103.
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2009. Diversity of kinetic pathways in amyloid fibril formation. J. Chem. Phys.. 131:111102.
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2009. Structure and stability of amyloid fibrils formed from synthetic beta-peptides. Frontiers in Bioscience. 13(9):6957-6965.
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2008. Sequence periodicity and secondary structure propensity in model proteins. Protein Science. 19:141.
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2010. Computational Methods in Nanostructure Design: Replica Exchange Simulations of Self-Assembling Peptides. G.Bellesia, S. Lampoudi, S. & J.-E. Shea. 474:9.
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2014. Free Energy Landscapes for Amyloidogenic Tetrapeptides Dimerization. Biophysical Journal. 89:1493-1503.
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2005. The thermodynamics of folding of a beta hairpin peptide probed through replica exchange molecular dynamics simulations. Theor. Chem. Acc.. 116:262.
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2006. Structure of the 21-30 fragment of amyloid Beta protein. Protein Science. 15:1239.
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