1. Miller, Y., Ma, B., and Nussinov, R.: Metal binding sites in amyloid oligomers: complexes and mechanisms. Coord. Chem. Rev., in press, 2012.
2. Liessmann M., Miller Y., Gerber R.B., and Abel B.: Reaction of OH and NO at low temperatures in the presence of water: The role of clusters. Z. Phys. Chem. 225: 1129-1144, 2011.
3. Miller Y, Ma B, and Nussinov R.: Synergistic interactions between repeats in tau protein and Aβ amyloids may be responsible for accelerated aggregation via polymorphic states. Biochemistry, 50(23):5172-81, 2011.
4. Miller, Y., Ma, B., and Nussinov R.: Stability of fibrils and annular species using all-atom molecular dynamics (MD) simulations in solvent: insight into polymorphism. Derreumaux, P. (Ed.): Alzheimer’s disease: Molecular Basis of Amyloid-beta protein aggregation and fibril formation Insights into low molecular weight and cytotoxic aggregates from computer simulations. Imperial College press, 2011, Chapter 3.
5. Parthasarathy, S., Long, F., Miller, Y., Xiao, Y., McElheny, D., Thurber, K., Ma, B., Nussinov, R., and Ishii, Y.: Molecular-level examination of Cu2+ binding structure for amyloid fibrils of 40-residue Alzheimer’s β by solid-state NMR spectroscopy. J. Am. Chem. Soc. 133: 3390-3400, 2011.
6. Miller, Y., Ma, B., and Nussinov, R.: The unique Alzheimer’s β-amyloid triangular fibril has a cavity along the fibril axis under physiological conditions. J. Am. Chem. Soc. 133, 2742-2748, 2011.
7. Shmilovits-Ofir, M., Miller, Y., and Gerber R.B.: Conformational transitions of glycine induced by vibrational excitation of the O-H stretch. Phys. Chem. Chem. Physics, 2010, DOI: 10.1039/C0CP01385D. Advance article in a special issue
8. Miller, Y., Ma, B., Tsai, C.-J., and Nussinov, R.: The hollow core of Alzheimer Aβ42 amyloid observed by cryoEM is relevant at physiological pH. Proc. Natl. Acad. Sci. USA, 107:14128-14133, 2010.
9. Miller, Y., Ma, B., and Nussinov, R.: Zinc ions promote Alzheimer Aβ aggregation via population shift of polymorphic states. Proc. Natl. Acad. Sci. USA, 107: 9490-9495, 2010.
10. Miller, Y., Ma, B., and Nussinov, R: Polymorphism in Alzheimer Aβ amyloid organization reflects conformational selection in a rugged energy landscape. Chem. Rev., DOI: 10.1021/cr900377t, 2010.
11. Miller, Y., Ma, B., and Nussinov, R.: Polymorphism of Alzheimer’s Aβ17-42 (p3) oligomers: The importance of the turn location and its conformation. Biophys. J. 97(4): 1168-1177, 2009.
12. Miller, Y., Thomas, J.L., Kemp, D.D., Finlayson-Pitts, B.J., Gordon, M.S., Tobias, D.J. and Gerber, R.B.: Structure of large nitrate-water clusters at ambient temperatures: Simulations with effective fragment potentials and force fields with implications for atmospheric chemistry. J. Phys. Chem. A, 113 (46): 12805, 2009.
13. Miller, Y., Finlayson-Pitts, B. J., and Gerber, R. B.: Ionization of N2O4 in contact with water: Mechanism, timescales and atmospheric implications. J. Am. Chem. Soc. 131: 12180, 2009. Cover article.
14. Link, O., Vöhringer-Martinez, E., Lugovoj, E., Liu, Y., Siefermann, K., Faubel, M., Grubmuller, H., Gerber, R.B., Miller, Y., Abel, B.; Ultrafast phase transitions in metastable water near liquid interfaces. Faraday Discuss. 141: 67-79, 2009. DOI: 10.1039/b811659h
15. Kamboures, M. A., Raff, J. D., Miller, Y., Philips, L. F., Finlayson-Pitts, B. J., and Gerber, R. B.: Complexes of HNO3 and NO2 and N2O4 and their potential role in atmospheric HONO formation. Phys. Chem. Chem. Phys. 10: 6019, 2008.
16. Wolf, I., Shapira, A., Giniger, R., Miller, Y., Gerber, R. B., and Cheshnovsky, O.: Critical size for intracluster proton transfer from water to an anion. Communication. Angew. Chem. Int. Ed. 47: 10.1002/ange.200800542, 2008.
17. Miller, Y. and Gerber, R. B.: Dynamics of proton recombination with NO3- anions in water clusters. Phys. Chem. Chem. Phys. 10: 1091, 2008. Cover communication article.
18. Miller, Y., Vaida, V., and Gerber, R. B.: Photodissociation yields for high vibrational excitations of H2SO4 in atmospheric conditions. Geophys. Res. Lett. 34: Art No. L16820, 2007. Featured as a scientific highlight article.
19. Miller, Y., Chaban, G. M., Zhou, J., Asmis, K. R., Neumark, D. M., and Gerber, R. B.: Vibrational spectroscopy of SO42-• (H2O)n cluster, n=1.5: Harmonic and anharmonic calculations, and experiment. J. Chem. Phys. 127: Art No. 094305, 2007.
20. Ramazan, K. A., Wingen, L. M., Miller, Y., Chaban, G. M., Gerber, R. B., Xantheas, S., and Finlayson-Pitts, B. J.: A new experimental and theoretical approach to the heterogeneous hydrolysis of NO2: The key role of molecular nitric acid and its complexes with water. J. Phys. Chem. A 110: 6886, 2006.
21. Miller, Y. and Gerber, R. B.: Dynamics of vibrational overtone excitations of H2SO4, H2SO4-H2O: Hydrogen – Hopping and photodissociation processes. J. Am. Chem. Soc. 128: 9594, 2006.
22. Miller, Y., Chaban, G. M., Finlayson-Pitts, B. J., and Gerber, R. B.: Photochemical processes-induced by vibrational overtone excitations: Dynamics simulations for cis HONO, trans HONO, HNO3 and HNO3-H2O. J. Phys. Chem. A 110: 5342, 2006.
23. Gerber, R. B., Chaban, G. M., Brauer, B., and Miller, Y.: First principles calculations of anharmonic vibrational spectroscopy of large molecules. In Dykstra, C. E., Kim, K. S., Fleming, G., and Scuseria, G. E. (Eds.): Theory and Applications of Computational Chemistry: The First 40 Years. Amsterdam, Netherlands, Elsevier Publications, 2005, Chapter 9, pp. 165-193
24. Miller, Y., Chaban, G. M., and Gerber, R. B.: Ab initio vibrational calculations for H2SO4 and H2SO4-H2O: Spectroscopy and the nature of the anharmonic couplings. J. Phys. Chem. A 109: 6565, 2005.
25. Miller, Y., Chaban, G. M., and Gerber, R. B.: Theoretical study of anharmonic vibrational spectra of HNO3, HNO3-H2O, HNO4, cis HONO and trans HONO: Fundamental, overtone and combination excitations. Chem. Phys. 313: 213, 2005.
26. Miller, Y., Fredj, E., Harvey, J. N., and Gerber, R. B.: UV spectroscopy of large water clusters: Model and Calculations for (H2O)n, n=8, 11, 20, 40 and 50. J. Phys. Chem. A 108: 4405, 2004.
