Dr. Peng Tao

Postdoctoral Research Fellow

Office: Rm 379 Chemistry Bldg
Email: tao@wayne.edu
Phone: (313) 577-2546

Education

            Ph.D. in Physical Chemistry, Ohio State University, Columbus OH, 2007

            Advisor:  Professor C. M. Hadad

            M.S. in Physical Chemistry, Peking University, Beijing, P. R. China, 2001

            Advisor:  Professor L. Lai

B.A. with Honors in Chemistry, Peking University, Beijing, P. R. China, 1998

            Advisor:  Professor L. Lai

Experience

            2007-Present    Postdoctoral Research Fellow, Wayne State University, Detroit, MI

                                    Advisor:  Professor H. B. Schlegel

            2001-2006         Graduate Teaching & Research Assistant, Ohio State University, Columbus, OH

            1998-2001         Graduate Teaching & Research Assistant, Peking University, Beijing, P. R. China

 

Research

            Postdoc Research: Computational enzymology using electronic structure and QM/MM methods.

            Doctoral Research: Computational Studies to Understand Molecular Regulation of the TPRC2 Calcium Channel, the Mechanism of Purine Biosynthesis, and the Folding of Azobenzene Oligomers, with Professor C. M. Hadad

Graduate Research:  Drug Design in Post-Genomics Era, with Professor L. Lai

            Undergraduate Research:  Empirical Methods of Peptides Hydrophobicity Prediction, with Professor L. Lai

Affiliations

• American Chemical Society (ACS)
• Younger Chemists Committee
• Graduate Student Symposium Planning Committee (GSSPC) for American Chemical Society 233rd National Meeting, Chicago, IL

Publications

• Kona, Fathima; Tao, Peng; Martin, Philip; Xu, Xingjue; Gatti, Domenico L.. “Electronic Structure of the Metal Center in the Cd²⁺, Zn²⁺, and Cu²⁺ Substituted Forms of KDO8P Synthase: Implications for Catalysis”, Biochemistry, 2009, 48 (16), 3610-3630
• Tao, Peng; Fisher, Jed F.; Mobashery, Shahriar; Schlegel, H. Bernhard. “DFT Studies of the Ring-Opening Mechanism of SB-3CT, a Potent Inhibitor of Matrix Metalloproteinase 2”, Org. Lett., 2009, 48 (16), 3610-3630 
• King, Eric D.; Tao, Peng; Sanan, Toby T.; Hadad, Christopher M.; Parquette, Jon R. “Photomodulated chiral induction in helical azobenzene oligomers”. Org. Lett.  2008,  10(9),  1671-1674
• Mendlik, M. T.; Tao, P.; Hadad, C. M.; Coleman, R S.; Lowary, T. L. Synthesis of L-Daunosamine and L-Ristosamine Glycosides via Photoinduced Aziridination. Conversion to Thioglycosides for Use in Glycosylation Reactions J. Org. Chem. 2006, 71, 8059-8070.
• Tao, P.; Lai, L. Protein Ligand Docking Based on Empirical Method for Binding Affinity Estimation J. Comput.-Aided Mol. Des. 2001, 15(5), 429-446.
• Tao, P.; Wang, R.; Lai, L. Calculating Partition Coefficients of Peptides by the Addition Method J. Mol. Mod. 1999, 5(10), 189-195.
• Tao, P.; Wang, R.; Lai, L. Calculation of Peptide's Partition Coefficients by Amino Acid Addition Method Wuli Huaxue Xuebao 1999, 15(5), 449-453.

Presentations

• Matrix Metalloproteinases 2 (MMP2) Inhibition: DFT and QM/MM Studies of the Inhibition Mechanism of SB-3CT and its Analogs.  40th Midwest Theoretical Chemistry Conference – Ann Arbor, Michigan 6/2008
• Folding of helical structures of alternating pyridinedicarboxamide/M-(phenylazo) azobeneze oligomers.  234th ACS National Meeting, Boston, MA, United States, August 19-23, 2007
  
• Computational study of the N⁵-CAIR mutase mechanism in the purine biosynthesis pathway. 232th ACS National Meeting, San Francisco, CA Sep. 2006
• Applying molecular dynamics to understand signal transduction: Recognition of TRPC6 by FKBP12. 232th ACS National Meeting, San Francisco, CA Sep. 2006
• Computational Study of N⁵-CAIR Mutase Mechanism in Purine Biosynthesis Pathway, 20th Annual Edward F. Hayes Graduate Research Forum, The Ohio State University, Apr. 22, 2006
• Computational Study of Epoxide Ring-Opening Reactions of 2,3-Anhydrosuars. 229th ACS National Meeting, San Diego, CA, March 13-17, 2005