Jeremy C. Smith

Affiliations: 
Molecular Biophysics Oak Ridge National Laboratory, Oak Ridge, TN, United States 
Website:
http://cmb.ornl.gov/people/smith
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"Jeremy C. Smith"
Bio:

http://en.wikipedia.org/wiki/Jeremy_C._Smith
Jeremy C. Smith obtained his Ph.D. in Biophysics from the University of London. In October 2006, Smith became the first Governor's Chair at the University of Tennessee and also Director of the UT/ORNL Center for Molecular Biophysics at Oak Ridge National Laboratory. His move to Tennessee arose from the presence at ORNL of world-class supercomputing capabilities and the Spallation Neutron Source, as the combination of neutron scattering with computer simulation has been a sustained interest of his.

Smith has performed and directed research in high-performance computer simulation of biological macromolecules, neutron scattering in biology, the physics of proteins, enzyme catalysis, bioenergy, environmental biogeochemistry and the analysis of structural change in proteins.

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Publications

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Smith MD, Smith JC. (2020) Effects of sodium and calcium chloride ionic stresses on model yeast membranes revealed by molecular dynamics simulation. Chemistry and Physics of Lipids. 104980
Devarajan D, Liang L, Gu B, et al. (2020) Molecular Dynamics Simulation of the Structures, Dynamics, and Aggregation of Dissolved Organic Matter. Environmental Science & Technology
Ishida T, Parks JM, Smith JC. (2020) Insight into the Catalytic Mechanism of GH11 Xylanase: Computational Analysis of Substrate Distortion based on a Neutron Structure. Journal of the American Chemical Society
Pavlova A, Lynch DL, Daidone I, et al. (2020) Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease. Biorxiv : the Preprint Server For Biology
Agarwal R, Bensing BA, Mi D, et al. (2020) Structure based virtual screening identifies small molecule effectors for the sialoglycan binding protein Hsa. The Biochemical Journal
Gupta M, Ha K, Agarwal R, et al. (2020) Molecular Dynamics Analysis of The Binding of Human Interleukin-6 with Interleukin-6 α-Receptor. Proteins
Aranha MP, Jewel YSM, Beckman RA, et al. (2020) Combining Three-Dimensional Modeling with Artificial Intelligence to Increase Specificity and Precision in Peptide-MHC Binding Predictions. Journal of Immunology (Baltimore, Md. : 1950)
Pingali SV, Smith MD, Liu SH, et al. (2020) Deconstruction of biomass enabled by local demixing of cosolvents at cellulose and lignin surfaces. Proceedings of the National Academy of Sciences of the United States of America
Agarwal R, Shrestha UR, Chu XQ, et al. (2020) Mesophilic Pyrophosphatase Function at High Temperature: A Molecular Dynamics Simulation Study. Biophysical Journal
Parks JM, Smith JC. (2020) How to Discover Antiviral Drugs Quickly. The New England Journal of Medicine
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