Faculty Profiles

David N. Beratan
R.J. Reynolds 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

Lin, Zhiwei, et al. “Modulating unimolecular charge transfer by exciting bridge vibrations..” Journal of the American Chemical Society, vol. 131, no. 50, Dec. 2009, pp. 18060–62. Epmc, doi:10.1021/ja907041t. Full Text Open Access Copy

Rinderspacher, B. Christopher, et al. “Discrete Optimization of Electronic Hyperpolarizabilities in a Chemical Subspace..” Journal of Chemical Theory and Computation, vol. 5, no. 12, Dec. 2009, pp. 3321–29. Epmc, doi:10.1021/ct900325p. Full Text

Hu, X., et al. “Emergent strategies for inverse molecular design.” Science in China, Series B: Chemistry, vol. 52, no. 11, Nov. 2009, pp. 1769–76. Scopus, doi:10.1007/s11426-009-0260-3. Full Text

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, Oct. 2009. Scopus, doi:10.1117/12.831024. Full Text

Hu, Xiangqian, et al. “A gradient-directed Monte Carlo method for global optimization in a discrete space: application to protein sequence design and folding..” The Journal of Chemical Physics, vol. 131, no. 15, Oct. 2009. Epmc, doi:10.1063/1.3236834. Full Text

Beratan, David N., et al. “Steering electrons on moving pathways..” Accounts of Chemical Research, vol. 42, no. 10, Oct. 2009, pp. 1669–78. Epmc, doi:10.1021/ar900123t. Full Text

Yuan, Langtian, et al. “Identification of 3-hydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-ones as isoform-selective PKC-zeta inhibitors and potential therapeutics for psychostimulant abuse..” Mol Biosyst, vol. 5, no. 9, Sept. 2009, pp. 927–30. Pubmed, doi:10.1039/b903036k. Full Text

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