Postdoctoral Research Associates in Protein/Ligands 
Interactions and Dynamics

Biosciences Division Biological and Environmental Sciences Directorate 
Oak Ridge National Laboratory Oak Ridge, Tennessee

ORNL08-114-BESD

Project Description: The Biosciences Division at the Oak Ridge National 
Laboratory is seeking to fill a postdoctoral research position in 
protein/ligands interactions and dynamics, coupled with experimental 
neutron scattering experiments and solution NMR.

The dynamics of protein play a key role in their function, and in 
particular in their capacity to bind biologically important ligands. 
The research here will provide a framework for understanding the 
energetics and dynamics of protein/ligand interactions, combining 
high-performance simulation with experiments on a next-generation 
neutron source, the new Spallation Neutron Source at Oak Ridge National 
Laboratory. This project will be done in collaboration with research 
groups at the University of Tennessee, Knoxville, for molecular biology 
and solution NMR experiments.

Specifically, we aim to (i) Perform molecular modeling simulations to 
investigate the dynamics and thermodynamics of protein/ligand interactions,
in particular the dynamics of opening/closing of substrate access channels
and product release channels. (ii) Perform neutron scattering experiments 
aimed at identifying the protein residues that undergo dynamical change 
during ligand access/release. (iii) Interface with collaborators for 
specific labeling experiments and solution NMR experiments.

Several crystal structures exist for apo- and bound- species of proteins 
and protein/ligand complexes. In several cases, the apo- and bound- species
do not exhibit major changes outside the very binding site domain. However,
transient structural changes are needed to allow the ligand to move from 
the cytoplasmic environment to the inside of the protein. Molecular 
simulations of the ligand entry and exit pathways can be performed to 
identify protein domains involved and the corresponding dynamics. 
Neutron spectroscopy experiments can be used to investigate and verify 
that residues suggested by the simulation as important are indeed 
experiencing modified structural environment and dynamics upon ligand 
binding. Solution NMR will provide complementary results and will be 
included in the design of the simulations.

Qualifications: A Ph.D. in chemistry, physics, biophysics or closely 
related field. Applicants cannot have received the most recent degree
more than five years prior to the date of application appointment 
and must complete all degree requirements before starting their appointment.

Technical Information:

For additional information contact:
Jerome Baudry, Ph.D.
Assistant Professor, University of Tennessee, Knoxville.
Department of Biochemistry & Cellular and Molecular Biology.

UT/ORNL Center for Molecular Biophysics
Building 6011, Oak Ridge National Laboratory Oak Ridge, Tennessee 37830, USA
TEL: (865) 576 0930
baudryjy**ornl.gov
http://cmb.ornl.gov/group/baudry

How to Apply:
Qualified applicants must apply online at https://www2.orau.gov/ORNL_POST/.
All applicants will need to register before they can begin the online
application. For complete instructions, on how to apply, please see the
instructions at http://www.orau.gov/orise/edu/ornl/ornl-pdpm/application.htm.
When applying for this position, please reference the position title and
number. This appointment is offered through the ORNL Postgraduate
Research Participation Program and is administered by the Oak Ridge
Institute for Science and Education (ORISE). The position is open to
citizens or legal permanent residents of the US without regard to race,
color, age, religion, sex, national origin, physical or mental disability,
or status as a Vietnam-era veteran or disabled veteran.


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