Beratan Group

Some Favorite Papers
  • L. Zheng, A.R. Dave, N.F. Polizzi, A. Migliore, D.N. Beratan, “Where is the electronic oscillator strength?  Mapping oscillator strength across molecular absorption spectra,” J. Phys. Chem. C 120, 1933-1943 (2016).

  • S.S. Skourtis, C. Liu, P. Antoniou, A.M. Virshup, and D.N. Beratan, “Dexter energy transfer pathways,” Proc. Natl. Acad. Sci. (USA), 113, 8115-8120 (2016). 

  • C. Liu, Y. Zhang, P. Zhang, D.N. Beratan, L. Xiang, Y. Li, and N-J. Tao, Engineering nanometer-scale coherence in soft matter,” Nature Chem., 8, 941-945 (2016). 

  • Y. Zhang, C. Liu, A. Balaeff, S. S. Skourtis, and D.N. Beratan,  “A flickering resonance mechanism for biological charge transfer,” Proc. Natl. Acad. Sci (USA), 111, 10049-10054 (2014).

  • ​​​A. Virshup, J. Contreras-Garcia, P. Wipf, W. Yang, and D.N. Beratan, “Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds,” J. Am. Chem. Soc. 135, 7296-7303 (2013).

  • N.F. Polizzi, S.S. Skourtis, and D.N. Beratan, “Physical constraints on charge transport through bacterial nanowires,” Faraday Discuss., 155, 43-61 (2012).

  • E. Hatcher, A. Balaeff, S. Keinan, R.Venkatramani, and D.N. Beratan, “PNA versus DNA:  effects of structural fluctuations on electronic structure and hole transport mechanisms,” J. Am. Chem. Soc., 130, 11752-11761 (2008).

  • I.A. Balabin, D.N. Beratan, and S.S. Skourtis, “The persistence of structure over fluctuations in biological electron-transfer reactions,” Phys. Rev. Lett., 101, 158102 (2008).

  • P. Mukhopadhyay, G. Zuber, P. Wipf, D.N. Beratan, “Contribution of a solute's chiral solvent imprint to optical rotation,” Angew. Chemie Int. Ed., 46, 6450-6452 (2007).

  • T.R. Prytkova, I.V. Kurnikov, D.N. Beratan, “Coupling coherence distinguishes structure sensitivity in protein electron transfer,” Science, 315, 622-625 (2007).

  • M. Wang, X. Hu, D.N. Beratan, and W. Yang, “Designing molecules by optimizing potentials,” J. Am. Chem. Soc., 128, 3228-3232 (2006). 

  • J. Lin, I.A. Balabin, and D.N. Beratan, “The nature of aqueous tunneling pathways between electron-transfer proteins,” Science, 310, 1311-1313 (2005).   

  • S. S. Skourtis, I.A. Balabin, T. Kawatsu, and D.N. Beratan, Protein dynamics and electron transfer:  electronic decoherence and non-Condon effects, Proc. Natl. Acad. Sci. (USA) 102: 3552-3557 (2005).

  • S.S. Skourtis, D.H. Waldeck, and D.N. Beratan, “Loss of Pathway Coherence in Inelastic Bridge-mediated Electron Transfer,” J. Phys. Chem. B, 108, 15511-15518 (2004).

  • M.R. Goldsmith, P. Wipf, and D.N. Beratan, “Optical rotation of non-covalent aggregates,” J. Am. Chem. Soc., 125, 15696-15697 (2003).

  • Z-X. Liang, J.M. Nocek, K.H. Huang, R.T. Hayes, I.V. Kurnikov, D.N. Beratan, and B.M. Hoffman, “Dynamic docking and electron transfer between Zn-myoglobin and  cytochrome b5,” J. Am. Chem. Soc., 124, 6849-6859 (2002).

  • R.K. Kondru, P. Wipf, and D.N. Beratan, “Theory assisted determination of absolute stereochemistry for complex natural products via computation of molar rotation angles.”  J. Am. Chem. Soc., 120, 2204-2205 (1998).

  • S. Priyadarshy, S.M. Risser, and, D.N. Beratan, “DNA is not a molecular wire:  protein-like electron transfer predicted in an extended pi-electron system,” J. Phys. Chem., 100, 17678-17682 (1996).

  • D.N. Beratan, J.N. Betts, and J.N. Onuchic, “Protein electron transfer rates are predicted to be set by the bridging secondary and tertiary structure,” Science, 252, 1285-1288 (1991).

  • S.R. Marder, D.N. Beratan, and L-T. Cheng, “Approaches for optimizing the first electronic hyperpolarizability of conjugated organic molecules,” Science, 252, 103-106 (1991).

  • D.N. Beratan, J.N. Onuchic, J.N. Betts, B. Bowler, and H.B. Gray, “Electron mediation pathways in ruthenated proteins,” J. Am. Chem. Soc., 112, 7915-7921 (1990). 

  • J.N. Onuchic and D.N. Beratan, “A predictive theoretical model for electron tunneling pathways in proteins,” J. Chem. Phys., 92, 722-733 (1990).