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EGWOLF, Bernhard

EGWOLF, Bernhard

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UST researchers call for better reporting, transparency amid rise in “unknown city” NCR cases, recommend continued GCQ

UST researchers call for better reporting, transparency amid rise in “unknown city” NCR cases, recommend continued GCQ

UST scientists fr. Nicanor Austriaco, O.P., PhD, SThD and Bernhard…

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UST researchers release projections for GCQ in NCR, proposes testing, tracing benchmark

UST researchers release projections for GCQ in NCR, proposes testing, tracing benchmark

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UST, CYCU-Taiwan hold 2nd joint symposium on chemical sciences

UST, CYCU-Taiwan hold 2nd joint symposium on chemical sciences

From September 26-27, 2019, the University of Santo Tomas and…

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Assoc. Prof. Bernhard Egwolf, Dr. rer. nat.

Department of Mathematics and Physics | Research Center for the Natural and Applied Sciences

begwolf@ust.edu.ph

ResearchGate | Google Scholar

Academic Qualifications

Research Highlights

Research Interests

Academic Qualifications

Degrees

  • Doctor of Natural Sciences (Dr. rer. nat., equivalent to Ph.D. degree) in Physics (Magna cum Laude), 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

Research Interests

  • Theoretical and Computational Biophysics 
  • Epidemiological Models 
  • Computer Simulations of Ion Channel Proteins
  • Calculation of Entropies from High-Dimensional Simulation Data
  • Molecular Docking of Drug Molecules

Courses Handled

Major Recognitions

Professional Activities

Courses Handled

  • Computation Methods 
  • Fundamentals of Computing 2 
  • Instrumentation II 
  • Mathematical Modelling 
  • Mechanics 
  • Theoretical Mechanics 

Major Recognitions

  • Research Fellowship (2 years post-doctoral research at the University of Chicago, U.S.A.), German Research Foundation, 2007

Professional Activities

  • Member – German Physical Society

Selected Publications

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.

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