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Dr. Shane D. Peterson
Physical Scientist
Exposure and Dose Research Branch
Human Exposure and Atmospheric Sciences Division
EDUCATION/TRAINING
B.S. Environment Chemistry, 2000, Purdue University, West Lafayette, IN
Ph.D. Medicinal Chemistry, 2007, Uppsala University, Uppsala, Sweden
PROFESSIONAL EXPERIENCE
Physical Scientist, US EPA, 2007-present
Guest Researcher, Uppsala University, 2001-2002
Scientist, SSCI, Inc 2001
Intern, Ecolab, Inc. 2002
SELECTED PUBLICATIONS
Nurbo, J.; Peterson, S.D.; Dahl, G.; Danielson, U.H. ; Karlén, A.; Sandström, A. 1-Amino Acid Substitutions and CoMFA Modeling of Hepatitis C Virus NS3 Protease Inhibitors. (Submitted, Bioorg. Med. Chem.)
Peterson, S.D.; Schaal, W.; Lundstedt, T.; Karlén, A. A Refined Approach to CoMFA Settings Optimization (Submitted J. Chem. Inf. Model.)
Rönn, R.; Lampa, A.; Peterson, S.D.; Gossas, T.; Åkerblom, E.; Danielson, U. H.; Karlén, A.; Sandström, A. Hepatitis C Virus NS3 Protease Inhibitors Comprising a Novel Aromatic P1 Moiety. (Submitted Bioorg. Med. Chem.)
Örtqvist, P.; Peterson, S.D.; Åkerblom, E.; Gossas, T.; Sabnis, Y.A.; Fransson, R.; Lindeberg, G.; Danielson, U.H.; Karlén, A.; Sandström, A. Phenylglycine as a novel P2 scaffold in hepatitis C virus NS3 protease inhibitors. Bioorg. Med. Chem. 2006, 15, 1448-1478
Peterson, S.D.; Schaal, W.; Karlén, A. Improved CoMFA Modeling by Optimization of Settings. J. Chem. Inf. Model. 2006, 46, 355-364
Peterson, S.D. Francisco, J.S. A Theoretical Study of the Thermal Decomposition Pathways of 2-H Heptafluoropropane. J. Phys. Chem. A 2002, 106,3106-3113
Peterson, S.; Good, D.A.; Francisco, J.S. A Density Functional Study of the Structures and Energetics of CXBrO where X = H, Cl and Br. J. Phys. Chem. A 1999, 103, 916-920
SELECTED PRESENTATIONS
Peterson, S.D.; Schaal, W.; Karlén, A. Improvements in CoMFA modeling by optimization of CoMFA settings. 15th European Symposium on Quantitative Structure-Activity Relationships and Modelling, Istanbul, Turkey, 2004
Peterson, S.D.; Schaal, W.; Lundstedt, T.; Karlén, A. Optimizing CoMFA settings. 232nd ACS National Meeting, San Francisco, CA, 2006
NARRATIVE
My modeling experience has focused on the quantitative structure-activity relationship (QSAR) modeling and docking. I have experience in methodology development, validation as well as application of models in a drug discovery setting. That experience will be applied to the development and application of physiologically-based pharmacokinetic (PBPK) models for use in human health risk assessment.