WLS Office : WLS F427 (865-974-4096)
UT/ORNL office/lab: Pro2Serve Building
Ph.D. Molecular Biophysics, University of Paris, UPMC
The Baudry laboratory develops and applies methods and protocols in computational molecular biophysics for structure-based molecular discovery. The lab works on several targets relevant to human and animal health as well as on targets of agrochemical interest, with a strong emphasis on structure-based approaches to ADME-Tox issues. The theoretical approach is complemented by close collaborations with experimental groups. The Baudry lab also actively pursues research projects to characterize the role of methyl-rich side chains in the dynamics and the thermodynamics of protein/protein and protein/ligand interactions and of the biophysics of protein:ligand and protein:protein complexes.
Home page: https://cmb.ornl.gov/people/baudry
(out of 53)
A phenylalanine rotameric switch for signal-state control in bacterial chemoreceptors.
D. Ortega, C. Yang, P. Ames, J. Baudry, J.S Parkinson, and I. Zhulin
Nature Communications. (2013), 4.
Homology Modeling of the CheW Coupling Protein of the Chemotaxis Signaling Complex.
D. Cashman, D. Ortega, I. Zhulin, and J. Baudry
PLOS One (2013), 8(8): e70705.
VinaMPI: Facilitating Multiple Receptor High-Throughput Virtual Docking on High Performance Computers.
S. Ellingson, J.C. Smith, and J. Baudry
Journal of Computational Chemistry (2013), 34(25): 2212–2221
Accelerating Virtual High-Throughput Ligand Docking: Screening One Million Compounds Using a Petascale Supercomputer.
S. Ellingson, S. Dakshanamurthy, M. Brown, J.C. Smith, J. Baudry
Concurrency and Computation: Practice and Experience (2013)
Three Entropic Classes of Side Chains in a Globular Protein.
D. C. Glass, M. Krishnan, J. C. Smith, J. Baudry
J. Phys. Chem. B. (2013), 117 (11): 3127-3134
STAAR: Statistical analysis of aromatic rings.
D.D. Jenkins, J.B. Harris, E.E. Howell, R.J. Hinde, J. Baudry
J. Comput. Chem. (2013), 34(6): 518-22