Jeremy C. Smith, Ph.D.
See Also: Center for Molecular Biophysics
A native of Norwich, England, in October 2006 he became the first Governor's Chair at the University of Tennessee and also Director of the Center for Molecular Biophysics at Oak Ridge National Laboratory. He had previously lead research groups in Biomolecular Simulation at the Centre D'Etudes Nucleaires at Saclay, France (1989-1998) and as Chair of Computational Molecular Biophysics at the University of Heidelberg, Germany (1998-2006).
Smith has performed and directed research in high-performance computer simulation of biological macromolecules, neutron scattering in biology, the physics of proteins, bioenergetics and the analysis of structural change in proteins. As of 2007 Smith had published over 200 peer-reviewed scientific articles. (Information retreived from http://cmb.ornl.gov/group/cst)
Selected Publications
Collignon B, Schulz R, Smith J, and Baudry J. Task-Parallel MPI Implementation of Autodock4 for Docking of Very Large Databases of Compounds Using High Performance Super-Computers. Journal of Computational Chemistry. (in press)
Guo HB, Parks J, Johs A, and Smith J. Mercury Detoxification by Bacteria: Simulations of Transcription Activation and Mercury-Carbon Bond Cleavage in Modeling of Molecular Properties. Springer. (in press)
Noe F, Doose S, Daidone I, Lollmann M, Sauer M, Chodera J, and Smith J . Dynamical Fingerprints: Probing Individual Relaxation Processes in Biomolecular Dynamics with Simulations and Kinetic Experiments. Proceedings of the National Academy of Sciences. (in press)
Parks J, Imhof P, and Smith J. Understanding Enzyme Catalysis Using Computer Simulation. Wiley. Encyclopedia of Catalysis, 2nd edition. (in press)
Prinz JH, Held M, Smith J, and Noe F. Efficient Computation, Sensitivity and Error Analysis of Committor Probabilities for Complex
Dynamical Processes. Multiscale Modeling and Simulation. (in press)
Smith J, Krishnan M, Petridis L, and Smolin N. Structure and Dynamics of Biological Systems: Integration of Neutron Scattering with
Computer Simulation. Dynamics of Soft Matter. (in press)
Splettstoesser T, Holmes K, Noe F, and Smith J. Structural Modeling and Molecular Dynamics Simulation of the Actin Filament. PROTEINS: Structure, Function, and Bioinformatics. (in press)
Bondar AN, Fischer S, and Smith J. Water Pathways in the Bacteriorhodopsin Proton Pump. Journal of Membrane Biology, 239(1-2):73-84. (2011)
Neusius T, Daidone I, Sokolov I, and Smith J. Configurational Subdiffusion of Peptides: A Network Study. Physical Review E, 83:021902. (2011)
Petridis L, Pingali SV, Urban V, Heller W, O' Neil H, Foston M, Ragauskas A, and Smith J. Self-similar multiscale structure of lignin revealed by neutron scattering and molecular dynamics simulation. Physical Review E, 83:061911. (2011)
Contact Information
Office:
Oak Ridge National Laboratory
Phone: (865) 574-9635
Email:smithjc@ornl.gov