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EGWOLF, Bernhard

EGWOLF, Bernhard

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UST researchers call for better reporting, transparency amid rise in 鈥渦nknown city鈥� NCR cases, recommend continued GCQ

UST researchers call for better reporting, transparency amid rise in 鈥渦nknown city鈥� 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

ECQ helped cushion COVID-19 impact on NCR Flattening the first…

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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 91性息港 and…

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Prof. Bernhard Egwolf, Dr. rer. nat.

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

begwolf@ust.edu.ph

听触听

Academic Qualifications

Research Highlights

Research Interests

Academic Qualifications

Degrees

  • Doctor of Natural Sciences听(Dr. rer. nat., equivalent to Ph.D. degree) in Physics听(Magna cum听Laude),听Ludwig Maximilian University of Munich, Germany, 2004
  • University Diploma in Physics听(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 伪-hemolysin and KcsA ion channel proteins
  • Computational design of nanoparticles with special optical properties

Research Interests

  • Theoretical and Computational Biophysics听
  • Epidemiological Models听
  • 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听
  • Fundamentals of Computing 2听
  • Instrumentation II听
  • Mathematical Modelling听
  • Mechanics听
  • Theoretical Mechanics听

Major Recognitions

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

Professional Activities

  • Member听鈥� German Physical Society

Selected Publications

Selected Publications

  • K.I. Lee, S. Jo, H. Rui,听B.听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.听J.听Comput. Chem. 33, 331-339.
  • W. Sandtner,听B.听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.听J.听Biol. Chem. 286, 38177-38183.
  • B. Roux, S. Berneche,听B.听Egwolf, B. Lev, S.Y. Noskov, C.N. Rowley, and H. Yu (2011). Ion selectivity in channels and transporters.听J. Gen. Physiol. 137, 415-426.
  • B.听Egwolf听and B. Roux (2010). Ion selectivity of the KcsA channel: A perspective from multi-ion free energy landscapes.听J. Mol. Biol. 401, 831-842.
  • B.听Egwolf, Y. Luo, D.E. Walters, and B. Roux (2010). Ion selectivity of 伪-hemolysin with 尾-cyclodextrin adapter: II. Multi-ion effects studied with grand canonical Monte Carlo/Brownian dynamics simulations.听J. Phys. Chem. B 114, 2901-2909.
  • Y. Luo,听B.听Egwolf, D.E. Walters, and B. Roux (2010). Ion selectivity of 伪-hemolysin with 尾-cyclodextrin adapter: I. Single ion potential of mean force and diffusion coefficient.听J. Phys. Chem. B 114, 952-958.
  • B.听Egwolf听and P. Tavan (2004). Continuum description of ionic and dielectric shielding for moleculardynamics simulations of proteins in solution.听J. Chem. Phys. 120, 2056-2068.
  • G. Mathias,听B.听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.听J. Chem. Phys.听118, 10847-10860.

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