R.D. Teo, B.J.G. Rousseau, E.R. Smithwick, R. Di Felice, D.N. Beratan, and A. Migliore, “Charge transfer between [4Fe4S] proteins and DNA is unidirectional. Implications for biomolecular signaling,” Chem., 5, 122-137 (2019). Highlighted in “Preview” article by J.D. Goodpaster, Chem 5, 12-14 (2019)
N.F. Polizzi, Y. Wu, T. Lemmin, S-Q. Zhang, J. Rawson, D.N. Beratan, M.J. Therien, W.F. DeGrado, “Strategy for designing hyperstable, non-natural protein-cofactor complexes with sub-Å accuracy,” Nature Chem., 9, 1157-1164 (2017).
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).