Faculty Profiles

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

Overview

Education:

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

Keinan, S, Paquette, WD, Skoko, JJ, Beratan, DN, Yang, W, Shinde, S, Johnston, PA, Lazo, JS, and Wipf, P. "Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B." Organic & Biomolecular Chemistry 6.18 (September 2008): 3256-3263. Full Text

Hatcher, E, Balaeff, A, Keinan, S, Venkatramani, R, and Beratan, DN. "PNA versus DNA: effects of structural fluctuations on electronic structure and hole-transport mechanisms." Journal of the American Chemical Society 130.35 (September 2008): 11752-11761. Full Text

Xiao, D, Bulat, FA, Yang, W, and Beratan, DN. "A donor-nanotube paradigm for nonlinear optical materials." Nano Letters 8.9 (September 2008): 2814-2818. Full Text

Hu, X, Beratan, DN, and Yang, W. "A gradient-directed Monte Carlo approach to molecular design." J Chem Phys 129.6 (August 14, 2008): 064102-null. Full Text

Hu, X, Beratan, DN, and Yang, W. "A gradient-directed Monte Carlo approach to molecular design." JOURNAL OF CHEMICAL PHYSICS 129.6 (August 14, 2008). Full Text

Xiao, D, Yang, W, and Beratan, DN. "Inverse molecular design in a tight-binding framework." The Journal of Chemical Physics 129.4 (July 2008): 044106-null. Full Text

Parks, JM, Kondru, RK, Hu, H, Beratan, DN, and Yang, W. "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 112.10 (March 2008): 3168-3176. Full Text

Zuber, G, Wipf, P, and Beratan, DN. "Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering." Chemphyschem 9.2 (February 1, 2008): 265-271. Full Text

Zuber, G, Wipf, P, and Beratan, DN. "Exploring the optical activity tensor by anisotropic Rayleigh optical activity scattering." CHEMPHYSCHEM 9.2 (February 1, 2008): 265-271. Full Text

Beratan, DN, and Balabin, IA. "Heme-copper oxidases use tunneling pathways." Proceedings of the National Academy of Sciences of the United States of America 105.2 (January 7, 2008): 403-404. Full Text

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