Faculty Profiles

David N. Beratan
R.J. Reynolds Distinguished Professor of Chemistry
5311 French Science Center, Durham, NC 27708
(919) 660-1526
(919 660-1605



Ph.D., California Institute of Technology 1986

B.S., Duke University 1980

Research Areas:
Theoretical, Physical, Biomolecular Structure and Function, Biological, Education, Inorganic, Nanoscience and Materials

Hatcher, Elizabeth, et al. “PNA versus DNA: effects of structural fluctuations on electronic structure and hole-transport mechanisms.Journal of the American Chemical Society, vol. 130, no. 35, Sept. 2008, pp. 11752–61. Epmc, doi:10.1021/ja802541e. Full Text

Keinan, Shahar, et al. “Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B.Organic & Biomolecular Chemistry, vol. 6, no. 18, Sept. 2008, pp. 3256–63. Epmc, doi:10.1039/b806712k. Full Text

Xiao, Dequan, et al. “A donor-nanotube paradigm for nonlinear optical materials.Nano Letters, vol. 8, no. 9, Sept. 2008, pp. 2814–18. Epmc, doi:10.1021/nl801388z. Full Text

Hu, Xiangqian, et al. “A gradient-directed Monte Carlo approach to molecular design.The Journal of Chemical Physics, vol. 129, no. 6, Aug. 2008, p. 064102. Epmc, doi:10.1063/1.2958255. Full Text

Xiao, Dequan, et al. “Inverse molecular design in a tight-binding framework.The Journal of Chemical Physics, vol. 129, no. 4, July 2008, p. 044106. Epmc, doi:10.1063/1.2955756. Full Text

Parks, Jerry M., et al. “Hepatitis C virus NS5B polymerase: QM/MM calculations show the important role of the internal energy in ligand binding.The Journal of Physical Chemistry. B, vol. 112, no. 10, Mar. 2008, pp. 3168–76. Epmc, doi:10.1021/jp076885j. Full Text

Zuber, Gérard, et al. “Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering.Chemphyschem : A European Journal of Chemical Physics and Physical Chemistry, vol. 9, no. 2, Feb. 2008, pp. 265–71. Epmc, doi:10.1002/cphc.200700660. Full Text

Beratan, David N., and Ilya A. Balabin. “Heme-copper oxidases use tunneling pathways.Proceedings of the National Academy of Sciences of the United States of America, vol. 105, no. 2, Jan. 2008, pp. 403–04. Epmc, doi:10.1073/pnas.0711343105. Full Text

Skourtis, S. S., and D. N. Beratan. “A molecular double slit paradigm.” Aip Conference Proceedings, vol. 963, no. 2, Dec. 2007, pp. 809–12. Scopus, doi:10.1063/1.2836214. Full Text