• Article  

      Charge transfer in dynamical biosystems, or the treachery of (static) images 

      Beratan, David N.; Liu, C.; Migliore, A.; Polizzi, N. F.; Skourtis, Spiros S.; Zhang, P.; Zhang, Y. (2015)
      ConspectusThe image is not the thing. Just as a pipe rendered in an oil painting cannot be smoked, quantum mechanical coupling pathways rendered on LCDs do not convey electrons. The aim of this Account is to examine some ...
    • Article  

      Gluon propagator without lattice Gribov copies 

      Alexandrou, Constantia; De Forcrand, Ph; Follana, E. (2001)
      We study the gluon propagator in quenched lattice QCD using the Laplacian gauge which is free of lattice Gribov copies. We compare our results with those obtained in the Landau gauge on the lattice, as well as with various ...
    • Article  

      Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulationsAAA 

      Ioannou, F.; Leontidis, Epameinondas; Archontis, Georgios Z. (2013)
      Specific ion effects on oligopeptide conformations in solution are attracting strong research attention, because of their impact on the protein-folding problem and on several important biological-biotechnological applications. ...
    • Article  

      Photosynthesis from the protein's perspective 

      Skourtis, Spiros S.; Beratan, David N. (2007)
    • Article  

      Protein dynamics and electron transfer: Electronic decoherence and non-Condon effects 

      Skourtis, Spiros S.; Balabin, I. A.; Kawatsu, T.; Beratan, David N. (2005)
      We compute the autocorrelation function of the donor-acceptor tunneling matrix element 〈TDA(t)TDA(0)〉 for six Ru-azurin derivatives. Comparison of this decay time to the decay time of the time-dependent Franck-Condon factor ...
    • Article  

      Steering electrons on moving pathways. 

      Beratan, David N.; Skourtis, Spiros S.; Balabin, I. A.; Balaeff, A.; Keinan, S.; Venkatramani, R.; Xiao, D. (2009)
      Electron transfer (ET) reactions provide a nexus among chemistry, biochemistry, and physics. These reactions underpin the "power plants" and "power grids" of bioenergetics, and they challenge us to understand how evolution ...