Jeffrey W. Peng

Jeffrey W. Peng

Biophysics NMR Methods and Biomolecular Dynamics


Associate Professor, University of Notre Dame
Concurrent Associate Professor, Department of Physics, University of Notre Dame
Assistant Professor, University of Notre Dame
Senior Investigator, Structural Biology and Biophysics, Vertex Pharmaceuticals
Postdoctoral Fellow, ETH-Z├╝rich, Switzerland
Ph.D. in Molecular Biophysics, University of Michigan
B.S. in Applied and Engineering Physics, Cornell University

Selected Awards

Edmund P. Joyce Award for Excellence in Undergraduate Teaching
Damon Runyon-Walter Winchell Cancer Research Fund Postdoctoral Fellowship
Molecular Biophysics Predoctoral Training Fellowship

Research Interests

Biophysics, NMR Spectroscopy, Protein and Ligand Dynamics

The Peng Lab works at the interface of the physical and biological sciences to illuminate the role of bio-molecular dynamics in molecular recognition and evolution.

Our main experimental tool is multi-dimensional NMR. We focus on both methods development, and applications to several proteins of therapeutic interest. Our long term interests include: (i) getting a fundamental understanding of signal transduction and protein evolution that includes conformational ensembles and dynamics. This has relevance for understanding protein-protein interaction networks and drug resistance; (ii) new methods for including flexibility information in iterative drug design. We complement our NMR studies with molecular dynamics calculations, protein biochemistry, and collaborations with groups focused on medicinal chemistry.

Recent Publications

  • VanPelt, J.; Stoffel, S.; Staude, M. W.; Dempster, K.; Rose, H. A.; Graney, S.; Graney, E.; Braynard, S.; Kovrigina, E.; Leonard, D. A. and Peng, J. W. "Arginine Modulates Carbapenem Deactivation by OXA-24/40 in Acinetobacter Baumannii" 2021 Journal of Molecular Biology, 433 (19), 167150. DOI: 10.1016/j.jmb.2021.167150.
  • Zhang, M. L.; Frederick, T. E.; VanPelt, J.; Case, D. A. and Peng, J. "Coupled Intra- and Interdomain Dynamics Support Domain Cross-Talk in Pin1" 2020 Journal of Biological Chemistry, 295 (49), pp.16585-16603. DOI: 10.1074/jbc.RA120.015849.
  • Stoffel, S.; Zhang, Q. W.; Li, D. H.; Smith, B. D. and Peng, J. W. "NMR Relaxation Dispersion Reveals Macrocycle Breathing Dynamics in a Cyclodextrin-Based Rotaxane" 2020 Journal of the American Chemical Society, 142 (16), pp.7413-7424. DOI: 10.1021/jacs.9b12524.
  • Born, A.; Nichols, P. J.; Henen, M. A.; Chi, C. N.; Strotz, D.; Bayer, P.; Tate, S. I.; Peng, J. W. and Vogeli, B. "Backbone and Side-Chain Chemical Shift Assignments of Full-Length, Apo, Human Pin1, a Phosphoprotein Regulator with Interdomain Allostery" 2019 Biomolecular NMR Assignments, 13 (1), pp.85-89. DOI: 10.1007/s12104-018-9857-9.
  • Zhang, M. L.; Case, D. A. and Peng, J. W. "Propagated Perturbations from a Peripheral Mutation show Interactions Supporting WW Domain Thermostability" 2018 Structure, 26 (11), pp.1474. DOI: 10.1016/j.str.2018.07.014.
  • Bouchard, J. J.; Xia, J. C.; Case, D. A. and Peng, J. W. "Enhanced Sampling of Interdomain Motion using Map-Restrained Langevin Dynamics and NMR: Application to Pin1" 2018 Journal of Molecular Biology, 430 (14), pp.2164-2180. DOI: 10.1016/j.jmb.2018.05.007.

Contact Information

  • Associate Professor
  • Office: 450 Stepan Chemistry Hall
  • Phone: 574-631-2983
  • Send an email

Primary Research Areas

Research Specialties