EGWOLF, Bernhard

Academic Qualifications

  • Doctor of Natural Sciences (Dr. rer. nat., equivalent to Ph.D. degree) in Physics, Ludwig Maximilian University of Munich, Germany, 2004
  • University Diploma in Physics (equivalent to M.Sc. Degree), Ludwig Maximilian University of Munich, Germany, 1998

Research Highlights

  • Development of programs for computer simulations of proteins and for analysing simulation data
  • Computational studies on the ion selectivity of α-hemolysin and KcsA ion channel proteins
  • Computational design of nanoparticles with special optical properties

UST FACULTY Sci MathPhy - EGWOLF Bernhard (2016, Research Highlights)

Research Interests

  • Theoretical and Computational Biophysics
  • Computer Simulations of Ion Channel Proteins
  • Calculation of Entropies from High-Dimensional Simulation Data
  • Computational Design of Nanoparticles with Special Optical Properties
  • Molecular docking of drug molecules

Major Recognitions

  • Research Fellowship (2 years post-doctoral research at the University of Chicago, U.S.A.), German Research Foundation, 2007
  • Doctor Degree with Magna Cum Laude honors, Ludwig Maximilian University of Munich, Germany, 2004

Professional Activities

  • Member – German Physical Society

Selected Publications

  • K.I. Lee, S. Jo, H. Rui, B. Egwolf, B. Roux, R.W. Pastor, and W. Im (2012). Web interface for Brownian dynamics simulation of ion transport and its applications to beta barrel pores. J. Comput. Chem. 33, 331-339.
  • W. Sandtner, B. Egwolf, F. Khalili-Araghi, J.E. Sanchez-Rodriguez, B. Roux, F. Bezanilla, and M. Holmgren (2011). Ouabain binding site in a functioning Na+/K+ ATPase. J. Biol. Chem. 286, 38177-38183.
  • B. Roux, S. Berneche, B. Egwolf, B. Lev, S.Y. Noskov, C.N. Rowley, and H. Yu (2011). Ion selectivity in channels and transporters. J. Gen. Physiol. 137, 415-426.
  • B. Egwolf and B. Roux (2010). Ion selectivity of the KcsA channel: A perspective from multi-ion free energy landscapes. J. Mol. Biol. 401, 831-842.
  • B. Egwolf, Y. Luo, D.E. Walters, and B. Roux (2010). Ion selectivity of α-hemolysin with β-cyclodextrin adapter: II. Multi-ion effects studied with grand canonical Monte Carlo/Brownian dynamics simulations. J. Phys. Chem. B 114, 2901-2909.
  • Y. Luo, B. Egwolf, D.E. Walters, and B. Roux (2010). Ion selectivity of α-hemolysin with β-cyclodextrin adapter: I. Single ion potential of mean force and diffusion coefficient. J. Phys. Chem. B 114, 952-958.
  • B. Egwolf and P. Tavan (2004). Continuum description of ionic and dielectric shielding for moleculardynamics simulations of proteins in solution. J. Chem. Phys. 120, 2056-2068.
  • G. Mathias, B. Egwolf, M. Nonella, and P. Tavan (2003). A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water. J. Chem. Phys. 118, 10847-10860.