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Education |
since 2007 |
Faculty of Science, Charles University in Prague (study program Physical Chemistry; Simulation of chemical properties of nano- a biostructures). |
since 2007 |
International Max Planck Research School for "Dynamical Processes in Atoms, Molecules and Solids" in Dresden. |
2011 (3 months) |
Advanced level course "Statistical Mechanics with focus on Liquids, Solutions and Colloidal Systems" at the University of Gothenburg, Sweden. |
2002-2008 |
M.Sc. in Mathematics at the Faculty of Mathematics and Physics at Charles University in Prague (study program: Mathematical Modeling in Physics and Engineering). |
2002-2007 |
M.Sc. in Chemistry at the Faculty of Science, Charles University in Prague (study program Physical Chemistry, group Electromigration and Separation Methods). |
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Experience |
2006-2008 |
Work in program COMSOL Multiphysics with respect to numerical solution of partial-differential equations (coupled convection-diffusion equations for weak electrolytes). |
2007-2008 |
Fundamental Research Project with Agilent Technologies Company. |
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Appointments |
since 2007 |
Ph.D. student, Institute of Organic Chemistry and Biochemistry v.v.i., Academy of Sciences of the Czech Republic, Prague. |
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Teaching |
2007 |
Exercises to the course "Classical molecular dynamics" at Charles University in Prague. |
2008 |
Lecture contribution to the course "Advanced Methods in Molecular Dynamics" at Charles University in Prague.
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Research interest |
Salt (including buffers), osmolyte, and denaturant solutions affect physical (solubility, conformational stability), but also bio-chemical (enzymatic activity) properties of peptides, proteins and enzymes. Understanding of the ion-specific effects is therefore of primary importance.
- Molecular dynamics simulations of ions at aqueous interfaces, particularly interactions of ions and osmolytes with protein surfaces and protein-proxy species.
- Statistical thermodynamic connection of simulation with experimentally measurable quantities.
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