Teresa Head-Gordon

Professor, Bioengineering Faculty Staff Scientist, Lawrence Berkeley National Laboratory Core Member, UCB/UCSF Graduate Group in Bioengineering 274C Stanley Hall mailcode: 1762 (510) 666-2744 fax: 510-642-5835 This e-mail address is being protected from spambots. You need JavaScript enabled to view it http://thglab.berkeley.edu/ Membership effective July 2001

Research Interests

Computation, theory, and experiment in the areas of biomolecules and biomaterials.

Research Summary

The simultaneous revolutions in molecular biology, scientific computing, and nanotechnology is giving rise to new interdisciplinary research opportunities in bioengineering. My own research program lies at the interfaces of engineering, chemistry, biology, physics, mathematics and computational science, with topics ranging from protein aggregation diseases, muliprotein complex folding and function, protein fold and structure prediction, hydration forces and dynamics, through to glassy dynamics of nanomaterials.

Selected Publications

11.    M. S. Lin and T. Head-Gordon (2008). Improved energy selection of native loops from loop decoys.  JCTC in press (Cover article).
2.    N. Lux Fawzi, A. Phillips, J. Z. Ruscio, M. Doucleff, D. E. Wemmer & T. Head-Gordon (2008). Structure and dynamics of the Alzheimer’s Aβ21-30 peptide from the interplay of NMR experiments and simulation. JACS accepted
3.    T. Head-Gordon and R. M. Lynden-Bell (2008). Hydrophobic solvation of Gay-Berne particles in modified water models.  J. Chem. Phys. in press.
4.    N. Lux Fawzi, K. Kohlstedt, Y. Okabe & T. Head-Gordon (2008). Protofibril assemblies of the Arctic, Dutch and Flemish mutants of the Alzheimer’s Aβ1-40 peptide. Biophys. J. in press
5.    R. K. Murakra and T. Head-Gordon (2008). Dielectric relaxation of aqueous solutions of hydrophobic and hydrophilic peptides. JPC-B 112, 179-186.
6.    E.-H. Yap, N. Lux Fawzi & T. Head-Gordon (2008). A coarse-grained α−carbon protein model with anisotropic hydrogen-bonding. Proteins, Struct. Func.. Bioinf. 70, 626-638.
7.    R. K. Murakra and T. Head-Gordon (2007). Single particle and collective hydration dynamics of hydrophobic and hydrophilic peptides.  J. Chem. Phys. 126, 215101-215109.
8.    M. S. Lin, N. L. Fawzi, and T. Head-Gordon (2007).  Hydrophobic potential of mean force as a solvent function for protein structure prediction.  Structure 15, 727-740.
9.    M. E. Johnson, T. Head-Gordon, A. A. Louis (2007). Representability problems for coarse-grained water models. J. Chem. Phys. 126, 144509-144519.
10.    C. Malardier-Jugroot and T. Head-Gordon (2007). Separable cooperative and localized translational motions of confined water. Phys. Chem. Chem. Phys. 9, 1962-1971.
11.    T. Head-Gordon and S. Rick (2007). Consequences of chain networks on thermodynamic, dielectric and structural properties for liquid water. Phys. Chem. Chem. Phys. 8, 83-91.
12.    N. Lux Fawzi, Y. Okabe, E.-H. Yap & T. Head-Gordon (2007). Fibril stability and elongation studies of the Alzheimer’s Aβ1-40 peptide. J. Mol. Biol. 365, 535-550