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Education:
1990-1995 B.Sc., Dept. of Biology, U. of Science and Technology
of China, China.
1995-1998 M. Sc., School of Life Sciences, U. of Science and Technology
of China, China.
1998-2003 Ph. D., Dept. of Biochem, UNC-CH, Chapel Hill
Honors
President scholarship (First Prize), Chinese Academy of Science,
1998
Cray Fellow, North Carolina Supercomputer Center, 1999
Publications
1. Hu. H., Shi Y.-Y., and Wang C-X (1996) Exploring the interaction
between D-xylose isomerase and D-xylose by free energy calculation,
Proteins: Struct, Funct. & Genet., 26: 157-166
2. Hu H., Liu H.-Y., and Shi Y.-Y. (1997) The reaction pathway
of the isomerization of D-xylose catalyzed by the enzyme D-xylose
isomerase: A theoretical study, Proteins: Struct, Funct. &
Genet., 27: 545-555
3. Hu, H., Liu, H.-Y., and Shi, Y.-Y. (1999) Incorporating density
functional potential in classical molecular dynamics simulation.
Chinese Science Bulletin, 44: 286-287
4. Hu, H., Yun, R.-H., and Hermans, J. (2002) Reversibility of
free energy simulations: Slow growth may have a unique advantage.
(With a note on use of Ewald summation.) Mol. Simulation, 28:67-80
5. Hu, H., Elstner, M, Hermans, J. (2003) Comparison of a QM/MM
force field and molecular mechanics force fields in simulations
of alanine and glycine "dipeptides" (Ace-Ala-Nme and
Ace-Gly-Nme) in water in relation to the problem of modeling the
unfolded peptide backbone in solution, Proteins: Struct, Funct.
& Genet., 50:451-463
6. Hu, H., Clarkson, M. W., Hermans, J., Lee, A. L. (2003) Increased
rigidity of eglin c at acidic pH: evidence from NMR spin relaxation
and MD simulation, Biochemistry, in print.
7. Hu, H., Hermans, J., and Lee, A.L. (2004) Implication of Methyl
Dynamics Observed in Molecular Dynamics Simulations for the Interpretation
of NMR Results, (in preparation).
8. Hu, H., Elstner, M. Yang, W., and Hermans, J. (2004) Simulating
the liquid water by a quantum mechanic force field, (in preparation).
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