ADL: NBCR CSSS: What's Up Doc(k)? Development and Applications of Virtual Protein/Ligand Docking

Wilfred Li wilfred at
Thu Mar 17 13:31:05 PDT 2011

Title: What’s Up Doc(k)? Development and applications of virtual
protein/ligand docking

Speaker: Jerome Baudry, Ph.D.,
Assistant Professor, University of Tennessee
Oak Ridge National Laboratory

Time: 11am -12 pm
Date: March 24, 2011
Location: Room 4004, Atkinson Hall, Calit2, UCSD

Hosts: Rommie Amaro, Ph.D., and Wilfred W. Li, Ph.D.,
UCI, UCSD, California, USA

Abstract: We describe our development of the AutoDock docking program
for High Performance Computing and Cloud architectures. We also
present applications of protein/ligand virtual docking to identify
environmental estrogenic pollutants in multiple proteins of a
biochemical pathway.

Speaker bio: Dr. Baudry obtained his Ph.D. in Molecular Biophysics
from the University of Paris, France and the French Atomic Energy
Commission, under the direction of Prof. Jeremy Smith. As a postdoc he
worked with Prof. Klaus Schulten at the University of Illinois in
Urbana-Champaign (UIUC). After working at a pharmaceutical company in
North Carolina for 2 years, Dr. Baudry returned to UIUC, first as a
staff scientist, and then as a non-tenure track research faculty. He
is currently an Assistant Professor at the University of Tennessee,
with appointments in the department of Biochemistry & Cellular and
Molecular Biology, the UT/ORNL center for molecular biophysics, and
the UT/ORNL Joint Center for Computational Sciences.

About NBCR: Established in 1994 with funding (P41 RR08605) from the
National Center for Research Resources (NCRR), NIH, the overall
mission of the National Biomedical Computation Resource (NBCR) is to
conduct, catalyze and enable multiscale biomedical research by
harnessing forefront computational and information technologies. The
five key objectives of NBCR are as follows: i) Push forward the
frontiers of integrative, multiscale modeling. ii) Accelerate the
adoption and development of emerging information technologies by the
biomedical science community. iii) Focus new activities on
translational medicine related to the NIH mission. iv) Strengthen the
multidisciplinarity of the Resource. v) Expand service, training and
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