Yi He

Assistant Professor

Photo: Yi He
505 277-6655
Clark Hall 223
Lab Website

Research Area/s:

Chemical Biology and Biochemistry,  Physical Chemistry,  Theoretical and Computational Chemistry


  • Ph.D. in Biophysics, 2009, Huazhong University of Science and Technology 
  • Postdoctoral Associate in Chemistry, 2009-2012, Cornell University 
  • Research Associate  in Chemistry, 2012-2017, Cornell University 
  • Research Scientist in Bioengineering, 2017-2018, University of California Merced


Developments of Computational Approaches to Characterize/Simulate Flexible Proteins

Simulating Dynamics and Interactions of Large Biomolecular Systems

Protein/peptide-based drug and biosensor design

Developments of Physics-based Multiscale Computational Models

More information can be found at https://helab.unm.edu/index.html

Selected Publications

  1. Y He, Suhani Nagpal, Mourad Sadqi, Eva de Alba, Victor Muñoz – Glutton: A tool for generating structural ensembles of partly disordered proteins from chemical shifts, Bioinformatics, bty755 (2018)
  2. Y He, S Rackovsky, Y Yin, HA Scheraga – Alternative approach to protein structure prediction based on sequential similarity of physical properties. Proc. Natl. Acad. Sci., U.S.A., 112, 5029-5032 (2015). 
  3. Y He, M Maciejczyk, S Ołdziej, HA Scheraga, A Liwo – Mean-field interactions between nucleic acid base dipoles drive formation of the double helix, Phys. Rev. Lett., 110, 098101 (2013)
  4. A Liwo, YHe, HA Scheraga – Coarse-grained force field: general folding theory, Phys. Chem. Chem. Phys., 13 (38), 16890-16901 (2011) 
  5. Y He, A Liwo, H Weinstein, HA Scheraga – PDZ Binding to the BAR domain of PICK1 is Elucidated by Coarse-grained Molecular Dynamics, J. Mol. Biol., 405, 298-314 (2011)