Dr Haibo Yu

Position:              Lecturer

Room:                  18.G26

Phone No:           02 4221 4235

E-mail:                 hyu@uow.edu.au

Research Interests

Computational Chemistry and Biophysics
The central theme of my research program can be summarized as developing and applying theoretical and computational tools to understand the structure-dynamics-function relationship in complex (bio)molecular and nanoscale systems. Complementary to experimental investigations, such studies can gain new physical insights into the underlying mechanism and provide necessary knowledge for manipulation in molecular engineering applications and discovery of novel therapeutics. Currently, the specific problems of interest include protein-DNA interactions, mechanistic studies of cofactor-independent oxygenation and carbohydrate-active enzymes.

Representative Publications

See http://www.researcherid.com/rid/B-9750-2008 for the full publication list.
1. Yu, H.B.; Mazzanti, C.L.; Whitfield, T.W.; Koeppe R.E.; Andersen, O.S.; Roux, B.; A combined experimental and theoretical study of ion solvation in liquid N-methylacetamide. Journal of the American Chemical Society 2010, 132, 10847-10856  
2. Yu, H.B.; Noskov, S. Y.; Roux, B.; Hydration number, topological control, and ion selectivity. Journal of Physical Chemistry B. 2009, 113, 8725-8730
3. Yu, H.B.; Yang, Y.; Ma, L.; Cui, Q.; Mechanochemical coupling in molecular motors: insights from molecular simulations of the myosin motor domain. Proteins: Energy, Heat and Signal Flow Eds. Leitner, D.M. and Straub, J.E. CRC Press, 2009
4. Yang Y.; Yu, H.B.; Cui, Q.; Extensive conformational transition are required to turn on ATP hydrolysis in myosin. Journal of Molecular Biology 2008, 381, 1407-1420

Searchable Publications List

Current Students

None as yet.

Suggested Topics for Future Students

1. Protein-DNA recognition in transcription regulation
2. Computational glycobiology: carbohydrate-active enzymes
3. Mechanistic studies of oxygenation reactions

Abbreviated CV

Dr. sc. nat. in Physical Chemistry, Swiss Federal Institute of Technology (ETH) Zurich, Switzerland, December 2004
B.Sc. in Biological Sciences (Hons), University of Science and Technology of China, July 2000

Positions Held

Postdoctoral Scholar, Department of Biochemistry and Molecular Biology, University of Chicago, U.S.A. October 2007-July 2010
Research Associate, Department of Chemistry, University of Wisconsin-Madison, U.S.A. January 2005-September 2007