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  • Benjamin M. Bulheller, Andrew J. Miles, Bonnie A. Wallace, Jonathan D. Hirst
  • Chemistry, Medicine
  • The journal of physical chemistry. B
  • 2008 (First Publication: 1 February 2008)
  • Circular dichroism (CD) is widely used in the structural characterization and secondary structure determination of proteins. The vacuum UV region (below 190 nm), where charge-transfer transitionsContinue Reading
  • J. K. Jiang, Darius Abramavicius, Benjamin M. Bulheller, Jonathan D. Hirst, Shaul Mukamel
  • Chemistry, Medicine
  • The journal of physical chemistry. B
  • 2010 (First Publication: 24 June 2010)
  • A generalized approach combining quantum mechanics (QM) and molecular mechanics (MM) calculations is developed to simulate the n --> pi* and pi --> pi* backbone transitions of proteins in aqueousContinue Reading
  • J. K. Jiang, Darius Abramavicius, Cyril Falvo, Benjamin M. Bulheller, Jonathan D. Hirst, Shaul Mukamel
  • Chemistry, Medicine
  • The journal of physical chemistry. B
  • 2010 (First Publication: 23 September 2010)
  • Revealing the structure and aggregation mechanism of amyloid fibrils is essential for the treatment of over 20 diseases related to protein misfolding. Coherent two-dimensional (2D) infraredContinue Reading
  • Darius Abramavicius, J. K. Jiang, Benjamin M. Bulheller, Jonathan D. Hirst, Shaul Mukamel
  • Chemistry, Medicine
  • Journal of the American Chemical Society
  • 2010 (First Publication: 9 June 2010)
  • Amide n-pi* and pi-pi* excitations around 200 nm are prominent spectroscopic signatures of the protein backbone, which are routinely used in ultraviolet (UV) circular dichroism for structureContinue Reading