Now showing items 1-2 of 2

    • Elucidating solvent contributions to solution reactions with ab initio QM/MM methods. 

      Hu, Hao; Yang, Weitao (J Phys Chem B, 2010-03-04)
      Computer simulations of reaction processes in solution in general rely on the definition of a reaction coordinate and the determination of the thermodynamic changes of the system along the reaction coordinate. The reaction ...
    • Sortase as a Tool in Biotechnology and Medicine 

      Bellucci, Joseph (2016)
      We have harnessed two reactions catalyzed by the enzyme sortase A and applied them to generate new methods for the purification and site-selective modification of recombinant protein therapeutics. We utilized native peptide ...