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…
EGWOLF, Bernhard
EGWOLF, Bernhard
Updates
UST researchers release projections for GCQ in NCR, proposes testing, tracing benchmark
ECQ helped cushion COVID-19 impact on NCR Flattening the first…
UST, CYCU-Taiwan hold 2nd joint symposium on chemical sciences
From September 26-27, 2019, the University of Santo Tomas and…
Assoc. Prof. Bernhard Egwolf, Dr. rer. nat.
Department of Mathematics and Physics | Research Center for the Natural and Applied Sciences
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.