People

doc. Jurjen Duintjer Tebbens, PhD specializes in Numerical Linear Algebra (Convergence analysis of modern iterative methods, in particular Krylov subspace methods for the solution of linear systems and eigenproblems with nonnormal matrices, Preconditioning and sparse direct solvers for linear systems), Mathematical modeling in pharmacology and Implementations and matrix computations in statistical methods. See also my personal web pages at the Institute of Computer Science of the Czech Academy of Sciences. 

Mgr. Veronika Bernhauerová, Ph.D. works in the field of mathematical biology. Her interests include mathematical modelling of viral replication to understand viral infection and spread, ecological and evolutionary dynamics of infectious diseases and gene expression dynamics regulated by nuclear receptors in hepatocyte spheroids. Check out her personal webpage for more information about Veronika's research activities.

Eugen Hruška, Ph.D. is predicting the drug metabolism of new drug candidates with the help of machine learning, docking, molecular dynamics, and quantum calculations. For a more detailed description, see his webpage.

Mgr. Jana Pavlíková Přecechtělová, Ph.D. focuses on the application, validation, and design of computational approaches for the calculation of molecular properties. In particular, she is interested in multi-scale modelling of Nuclear Magnetic Resonance parameters for biomacromolecules, especially intrinsically disordered proteins involved in neurodegenerative diseases. The multi-scale modelling methods combine molecular dynamics, fragmentation techniques and density functional methods. Further research interests include the development and implementation of approximations to the exchange-correlation functional of Density Functional Theory.  

PhD students:

• Mgr. Dominik Suwała

• Mgr. Michael Bakker

•   Mgr. Amina Gaffour  graduated with honors from the University of Djilali Liabes in Sidi Bel Abbes, Algeria, where she studied Science of the Matter and Theoretical and Computational Chemistry. Her excellent study results earned her an Erasmus+ mobility scholarship to Germany where she completed a 4-month research stay at the Institute of Physical and Theoretical Chemistry at the University of Tübingen. Her thesis was entitled "The Correlation between the Performance of the MP, CCSD and REMP Methods with T1,D1 and D2 Wave Functions Descriptors". Since January 2021, she has been working on her PhD in the Faculty of Pharmacy at Charles University. Her research focuses on molecular dynamics simulations, DFT calculations, the optimization of the UMAP dimensional reduction and K-mean clustering approach and analysis of the computed J-couplings.

•   Mgr. Ellen Kahiya started her academic journey at the University of Zimbabwe in Zimbabwe where she
  obtained her Bachelor of Science honors degree in mathematics. Afterwards, she acquired her master’s degree in applied mathematics at the University of Zimbabwe. During this program, she was interested in mathematical and computational biology research; especially the study of biological systems using mathematical and computational modelling. Her master’s thesis was focused on the mathematical modelling and simulations of the dynamics of cell-cycle transitions network. Since March 2022, she is working on her PhD in the Clinical and Molecular Pharmacotherapy research group at the faculty of pharmacy, Charles University under the supervision of Dr. Veronika Bernhauerova and Prof. Jurjen Duintjer Tebbens; where she combines her interests in biological systems, medicine and data-driven mathematical models. Her research will focus on the mathematical modelling of gene expression dynamics regulated by nuclear receptors in 3D primary human hepatocytes. In her free time Ellen enjoys singing, listening to music, spending time with family and friends, travelling and running.

• Mgr. Andreas Matthios

•   Mgr. Bechara Saade. 

  Hello, I'm Bechara Saade from Lebanon, holder of a master's degree in "Analysis and Probability for Partial Differential Equations" at Saint-Joseph University of Beirut, Faculty of Sciences. I worked during my master’s thesis on the dimensional reduction of the three-dimensional problem of linear elasticity. I benefited from that by learning applied mathematics in mechanics and how to construct behavioral models. I believed that research could not develop well by being limited to a single field, however I decided to enter the general theme of applied mathematics in pharmacy to broaden my knowledge and improve my skills. Currently, I'm pursuing a Ph.D. in the Czech Republic at the Faculty of Pharmacy of Charles University. My research focuses on the construction of a new mathematical model for nuclear receptor-regulated gene expression dynamics by a xenobiotic. In my leisure time, there are many hobbies that I like to do, but the ones I like most are going for a run or swimming, as well as charity work.

•  Mgr. Rudy Salam. I'm Rudy from Indonesia and I'm a pharmacist. starting from my interest in bioinformatics especially computer-aided drug design during my master's study provided an opportunity to continue my journey to study at the faculty of Pharmacy Charles University Czech Republic. I believe that computational approaches can shorten the time in the discovery of new drug candidates. I'm particularly interested in investigating the structural changes of proteins as a result of interactions with ligands through a molecular dynamics simulation approach.