Welcome To Yun's
Homepage!
Educations
BS: Applied Chemistry, University of Science and Technology of China, 2002
Research
Phosphate hydrolysis acts as the central reaction in the cleavage of the phosphate backbone in polynucleic acids.The reaction can be catalyzed by a variety of enzymes and ribozymes,which has lead to the RNA world hypothesis.Small phosphate hydrolysis model reactions have been studied at different levels of electronic structure theory.However,the computational cost associated with these theories quickly prohibits calculations of larger models that better mimic the enzyme and solvation environment.An alternative to the computationally intensive ab initio methods is the use of semiempirical methods.The focus of my research is to parameterize a new semiempirical Hamiltonian to accurately reproduce geometries,dipole moments and relative energies from a density-functional-based dataset for phosphate hydrolysis reactions.
Other Links
University of Minnesota Chemistry Department
University of Minnesota Supercomputing Institute
Back to York Group Homepage
email to me
Thanks for your visiting!
Created 06/04/2003
-- Yun Liu