Publications

Found 117 results
Author Title [ Type(Desc)] Year
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Journal Article
Camley BA, Brown FLH.  2014.  Fluctuating hydrodynamics of multicomponent membranes with embedded proteins. The Journal of chemical physics. 141:075103.
Brandt EG.  2013.  Fluctuating hydrodynamics simulations of coarse-grained lipid membranes under steady-state conditions and in shear flow. Physical Review E. 88:012714.
Baumketner A., Shea J.-E..  2006.  Folding landscapes of the Alzheimer A\beta12-28 peptide from all-atom replica exchange molecular dynamics simulations in explicit solvent. J. Mol. Biol.. 362:567-579.
Ratcliff EL, II RCBakus, Welch GC, van der Poll TS, Garcia A, Cowan SR, MacLeod BA, Ginley DS, Bazan GC, Olson DC.  2013.  Formation of interfacial traps upon surface protonation in small molecule solution processed bulk heterojunctions probed by photoelectron spectroscopy. Journal of Materials Chemistry C. 1:6223–6234.
Baumketner A., Shea J.-E..  2005.  Free Energy Landscapes for Amyloidogenic Tetrapeptides Dimerization. Biophysical Journal. 89:1493-1503.
Kioupakis E, Rinke P, Schleife A, Bechstedt F, Van de Walle CG.  2010.  Free-carrier absorption in nitrides from first principles. Phys. Rev. B. 81:241201.
Barkeshli M, Jiang H-C, Thomale R, Qi X-L.  2014.  Generalized Kitaev Models and Slave Genons. arXiv preprint arXiv:1405.1780.
Denault K, Paden S, Brinkley S, Mikhailovsky AA, Neuefeind JC, DenBaars SP, Seshadri R.  2012.  A green-yellow emitting oxyfluoride solid solution phosphor Sr2Ba (AlO4F) 1- x (SiO5) x: Ce3+ for thermally stable, high color rendition solid state white lighting. Journal of Materials Chemistry. 22:18204.
Chen R., Ju H., Jiang H.C, Starykh O.A, Balents L..  2013.  Ground states of spin-1/2 triangular antiferromagnets in a magnetic field. Phys. Rev. B. (in press)
Sigurdsson J.K., Brown F.L.H., Atzberger P.J..  2013.  Hybrid Continuum-Particle Method for Fluctuating Lipid Bilayer Membranes with Diffusing Protein Inclusions. J. of Comp. Phys.. 252:65.
Welch GC, Bakus RCharles, Teat SJ, Bazan GC.  2013.  Impact of Regiochemistry and Isoelectronic Bridgehead Sub-stitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores. Journal of the American Chemical Society. 135:2298.
Welch GC, Bakus RCharles, Teat SJ, Bazan GC.  2013.  Impact of Regiochemistry and Isoelectronic Bridgehead Sub-stitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores. Journal of the American Chemical Society. 135:2298.
Baumketner A., Shea J.-E..  2005.  The influence of different treatments of electrostatic interactions on the thermodynamics of folding of peptides. J. Phys. Chem. B. 109:21322.
Larini L, Gessel MMurray, LaPointe NE, Do TD, Bowers M, Feinstein SC, Shea J-E.  2013.  Initiation of Assembly of Tau(273-284) and its DK280 Mutant: An Experimental and Computational Study. Phys. Chem. Chem. Phys.. 15:8916-8928.
Siebenhuhner F, Weiss SA, Coppola R, Weinberger DR, Bassett DS.  2012.  Intra-and Inter-Frequency Brain Network Structure in Health and Schizophrenia. arXiv preprint. arXiv:1209.0729
Singh N, Upham DC, Liu R-F, Burk JJames, Economou NJohn, Buratto SK, Metiu H, McFarland EW.  2014.  Investigation of the active sites of rhodium sulfide for hydrogen evolution/oxidation using carbon monoxide as a probe. Langmuir.
Singh N, Upham DC, Liu R-F, Burk JJames, Economou NJohn, Buratto SK, Metiu H, McFarland EW.  2014.  Investigation of the active sites of rhodium sulfide for hydrogen evolution/oxidation using carbon monoxide as a probe. Langmuir.
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.
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.
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.
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.
Bousquet E, Spaldin N.  2010.  J dependence in the LSDA+U treatment of noncollinear magnets. Phys. Rev. B. 82:220402.
Wang X, Vallurupalli P, Vu A, Lee K, Sun S, Bai W-J, Wu C, Zhou H, Shea J-E, Kay LEdward et al..  2014.  The Linker between the Dimerization and Catalytic Domains of the CheA Histidine Kinase Propagates Changes in Structure and Dynamics Important for the Enzymatic Activity. Biochemistry.
George NC, Pell AJ, Dantelle G, Page K, Llobet A, Balasubramanian M, Pintacuda G, Chmelka BF, Seshadri R.  2013.  Local Environments of Dilute Activator Ions in the Solid-State Lighting Phosphor Y3–x Ce x Al5O12. Chemistry of Materials. 25:3979–3995.
Takacs CJ, Collins SD, Love JA, Mikhailovsky AA, Wynands D, Bazan GC, Nguyen T-Q, Heeger AJ.  2014.  Mapping Orientational Order in a Bulk Heterojunction Solar Cell with Polarization-Dependent Photoconductive Atomic Force Microscopy. ACS nano. 8:8141–8151.

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