Department of Chemistry, University of Minnesota

Recent Research Developments from the 

York Group
Complete Index of Recent Research News
  • January, 2007
    • "Insight into the role of Mg2+ in hammerhead ribozyme catalysis from X-ray crystallography and molecular dynamics simulation."
      • Tai-Sung Lee, Carlos Silva-Lopez, Moonika Martick, William G. Scott, and Darrin M. York
  • September, 2005
    • "PM3BP : A new semiempirical quantum model for hydrogen bonded nucleic acid base pairs",
      • Timothy J. Giese, Ed Sherer, Christopher Cramer and Darrin M. York.
  • April, 2005 
    • "The contribution of phosphate-phosphate repulsions to the free energy of DNA bending", Kevin Range, Evelyn Mayaan, L. James Maher and Darrin M. York.  Cover article for Nucleic Acids Research 33(4) 2005 and Research News.

  • January, 2005 
    • "Multi-scale quantum models for RNA catalysis", feature article on the York Group in the Research Bulletin of the Supercomputing Institute (Vol. 21, No. 1).
  • November 24, 2004 
    • "New methods for treatment of long-range electrostatic interactions in quantum simulations of biochemical reactions", Brent Gregersen, Kwangho Nam, Jiali Gao and Darrin M. York.

  • September 29, 2004 
    • "Multi-scale quantum models for RNA catalysis", the York Group.
  • July 21, 2004 
    • "Hybrid QM/MM study of thio effects in transphosphorylation reactions: the role of solvation", Brent A. Gregersen, Xabier Lopez and Darrin M. York.

  • April 14, 2004 
    • "Design and application of a multi-coefficient correlation method for dispersion interactions", Timothy J. Giese and Darrin M. York.
  • Dec 24, 2003 
    • "Insights into the regioselectivity and RNA binding affinity of HIV-1 nucleocapsid protein from linear-scaling quantum methods", Jana Khandogin, Karin Musier-Forsyth and Darrin M. York.

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  • Jul 23, 2003 
    • "Hybrid QM/MM study of thio effects in transphosphorylation reactions in solution", Brent Gregersen, Xabier Lopez and Darrin M. York.

  • Jan 22, 2003 
    • "Spectroscopic and theoretical characterization of tyrosyl radicals in dipeptides", Idelisa Ayala, Bridgette Barry, Kevin Range, and Darrin M. York.
  • Jun 12, 2002 
    • "Computational Methods for RNA Catalysis", Xabier Lopez,  Jana Khandogin and Darrin M. York.
  • Jan 10, 2002
    • "New Quantum Indices for Biological Macromolecules", Jana Khandogin, Anguang Hu and Darrin M. York.
  • Jun 28, 2000
    • "New Quantum Methods for Enzyme Reactions in Solution", the York Group.
  • Dec 1, 1999
    • "Linear-scaling Electronic Structure Methods for Biological Macromolecules in Solution", Darrin M. York.