Wonpil Im

Associate Professor
Primary office:
(785) 864-1993
200E MRB

Theoretical/computational methods to chemical and physical problems in biology and material science.

The research programs in our group focus on the applications of theoretical/ computational methods to chemical and physical problems in biology and material science.

Specific research interests and projects are

  • peptide/protein interactions with/in biological membranes
  • transmembrane-induced signaling and regulation
  • NMR structure calculation and refinement 
  • glycan and glycoprotein structure and dynamics
  • protein translocation through molecular pores
  • ion channel activities such as ion permeation, selectivity, and gating
  • theoretical/methodological developments 

In addition, we are involved in developing the biomolecular simulation program CHARMM, and CHARMM-GUI.

Representative Publications

The complete list of publications is available at http://im.bioinformatics.ku.edu/Publications or check Google Scholar Citations at http://scholar.google.com/citations?user=WEqu3RYAAAAJ.

  • S. Park, T. Kim, and W. Im (2012) Transmembrane Helix Assembly with Window Exchange Umbrella Sampling. Phys. Rev. Lett. 108:108102.
  • S. Jo and W. Im (2011) Transmembrane Helix Orientation and Dynamics: Insights from Ensemble Dynamics with Solid-State NMR Observables. Biophys. J. 100:2913-2922.
  • T. Rathinavelan, L. Zhang, W.L. Picking, D.D. Weis, R.N. De Guzman, and W. Im (2010) A Repulsive Electrostatic Mechanism for Protein Export through the Type III Secretion Apparatus. Biophys. J. 98:452-461.
  • W. Im, J. Lee, T. Kim, and H. Rui (2009) Novel Free Energy Calculations to Explore Mechanisms and Energetics of Membrane Protein Structure and Function. J. Comput. Chem. 30:1622-1633.
  • J. Lee and W. Im (2008) Transmembrane Helix Tilting: Insights from Calculating the Potential of Mean Force. Phys. Rev. Lett. 100:018103.
  • J. Lee and W. Im (2007) Implementation and Application of Helix-Helix Distance and Crossing Angle Restraint Potentials. J. Comput. Chem. 28:669–680.
  • W. Im, J. Chen, and C.L. Brooks III (2006) Peptide and Protein Folding and Conformational Equilibria: Theoretical Treatment of Electrostatics and Hydrogen Bonding with Implicit Solvent Models. Adv. Protein Chem. 72:173–198.
  • W. Im and C.L. Brooks III (2005) Interfacial Folding and Membrane Insertion of Synthetic Peptides Studied by Molecular Dynamics Simulations. Proc. Natl. Acad. Sci. USA 102:6771–6776.
  • W. Im and C.L. Brooks III (2004) De Novo Folding of Membrane Proteins: An Exploration of the Structure and NMR Properties of the fd Coat Protein. J. Mol. Biol. 337:513–519.
  • W. Im, M. Feig, and C.L. Brooks III (2003) An Implicit Membrane Generalized Born Theory for the Study of Structure, Stability, and Interactions of Membrane Proteins. Biophys. J. 85:2900–2918.
  • W. Im and B. Roux (2002) Ion Permeation and Selectivity of OmpF Porin: A Theoretical Study Based on Molecular Dynamics, Brownian Dynamics, and Continuum Electrodiffusion Theory. J. Mol. Biol. 322:851–869.
  • W. Im, S. Berneche, and B. Roux (2001) Generalized Solvent Boundary Potentials for Computer Simulations. J. Chem. Phys. 114:2924–2937.
  • W. Im, S. Seefeld and B. Roux (2000) Grand Canonical Monte Carlo - Brownian Dynamics Algorithm for Simulating Ion Channels. Biophys. J. 79:788–801.
  • M. Nina, W. Im, and B. Roux (1999) Optimized Atomic Radii for Protein Continuum Electrostatics Solvation Forces.Biophys. Chem. 78:89–96.
  • W. Im, D. Beglov, and B. Roux (1998) Continuum Solvation Model: Computation of Electrostatic Forces from Numerical Solutions to the Poisson-Boltzmann Equation. Comput. Phys. Comm. 111:59–75.
  • W. Im and Y. Won (1994) Molecular Dynamics Simulation on Thermodynamic and Structural Properties of Liquid Hydrocarbons : Normal Alkanes. bull. Korean Chem. Soc. 15:852–856.

Search PubMed for articles by Wonpil Im.


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Sriram Varahan (graduate student, Hancock lab) presented a platform presentation entitled “Deletion of an RNPP family protein results in hyper biofilm formation in Enterococcus faecalis” at the 13th Annual Great Plains Infectious Disease meeting held in Columbia, Missouri, September 26-27, 2014 http://rbl.missouri.edu/gpid/
GPID Meeting - Laboratory for Infectious Disease Research
The University of Missouri is pleased to host the 13th annual Great Plains Infectious Disease Meeting on September 26 and 27th, 2014, in the University of Missouri’s Adams Conference Center. We are pleased to have the keynote presentation by Anthony James, PhD from the University of California Irvin…