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

Balabin, Ilya A., et al. “Coarse-grained modeling of allosteric regulation in protein receptors.Proceedings of the National Academy of Sciences of the United States of America, vol. 106, no. 34, Aug. 2009, pp. 14253–58. Epmc, doi:10.1073/pnas.0901811106. Full Text

Mukhopadhyay, Parag, et al. “Optical signatures of molecular dissymmetry: combining theory with experiments to address stereochemical puzzles.Accounts of Chemical Research, vol. 42, no. 6, June 2009, pp. 809–19. Epmc, doi:10.1021/ar8002859. Full Text

Paul, Amit, et al. “Role of nucleobase energetics and nucleobase interactions in single-stranded peptide nucleic acid charge transfer.Journal of the American Chemical Society, vol. 131, no. 18, May 2009, pp. 6498–507. Epmc, doi:10.1021/ja9000163. Full Text

Xiao, Dequan, et al. “Turning charge transfer on and off in a molecular interferometer with vibronic pathways.Nano Letters, vol. 9, no. 5, May 2009, pp. 1818–23. Epmc, doi:10.1021/nl8037695. Full Text

Paul, Wenhong, et al. “Role of Nucleobase Energetics in Single Stranded Peptide Nucleic Acid Charge Transfer.” J. Am. Chem. Soc, no. 131, 2009, pp. 6498–507.

Venkatramani, R., et al. “Photoconductivity and current-voltage characteristics of thin DNA films: Experiments and modeling.” Proceedings of Spie  the International Society for Optical Engineering, vol. 7403, Jan. 2009. Scopus, doi:10.1117/12.831024. Full Text

Skourtis, Spiros S., et al. “Chiral control of electron transmission through molecules.Physical Review Letters, vol. 101, no. 23, Dec. 2008, p. 238103. Epmc, doi:10.1103/physrevlett.101.238103. Full Text

Mukhopadhyay, Parag, et al. “Characterizing aqueous solution conformations of a peptide backbone using Raman optical activity computations.Biophysical Journal, vol. 95, no. 12, Dec. 2008, pp. 5574–86. Epmc, doi:10.1529/biophysj.108.137596. Full Text

Balamurugan, D., et al. “Exploring chemical space with discrete, gradient, and hybrid optimization methods.The Journal of Chemical Physics, vol. 129, no. 17, Nov. 2008, p. 174105. Epmc, doi:10.1063/1.2987711. Full Text