Wenxun Gan ¸ÊÎÄÑ«
PhD Candidate
Department of Chemistry
The University of Chicago
I'm a graduate student working with Professor
Benoit Roux. We use computational chemistry to study the structure,
dynamics and function of complex biological systems. I'm particularly interested
in a small protein domain called the
SH2 domain, and any SH2 domain-containing proteins that are known to play important roles in
intracellular signal transduction.
Currently my projects include 1) using molecular dynamics (MD) free energy simulations to investigate the binding
specificity of various SH2 domains and 2) applying the
string method to study the conformational change and activation mechanism of
Src tyrosine kinase (PDB: 2SRC/1Y57).
In addition to applying computational methods to solving biological problems, I also have broad interests
in methodological development which I hope may become part of my future work. Methods that can
accelarate conventional MD simulations, enhance the sampling of MD, or help the crossing of energy barriers
are of particular interest to me.
A short bio:
Born in Huanggang, Hubei Province, China in September 1983. B.S. from the College of Chemistry of Peking University in July 2005 and M.S. in Chemistry from the University of Chicago in August 2006.
Contact Information
Center for Integrative Sciences Room W312
929 E. 57th Street, Chicago, IL 60637
Tel: (773)834-4458 Email: gan@uchicago.edu
Research
more details coming up soon....
The SH2 domain (cartoon, green) from human p56-lck tyrosine kinase bound with a short phosphopeptide pYEEI (stick). PDB code: 1LKK, generated by PyMol
Inactive (left) and active (right) structure of the human c-Src tyrosine kinase.
(PDB code: 2SRC/1Y57)
Links
----Online journals that are of interest to the Roux lab
Biochemistry
Biophysical J
J Chem Phys
J Phys ChemB
JACS
PLOS Comp Biol
Annual Reviews
ChemPhysLett
Phys Rev Lett
Science
Nature
NatStructMolBiol
PNAS
J Mol Biol
Structure
Cell
CurrOpinStructBiol
----All about graduate school
Graduate school stipends: the idea from a Harvard trained fashion expert
Advice for graduate students: the wisdom of a senior Yale professor
Last updated: Monday May 14, 2007
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