Profile

Education
2004-2008
Ph.D. in Physical chemistry, supervision of Prof. Hobza, Faculty of Science, Charles University in Prague.
1999-2004
M.Sc. in Physical chemistry, Faculty of Science, Charles University in Prague.
Appointments
since 2014
Scientist in Prof. Hobza group, Institute of Organic Chemistry
and Biochemistry of the CAS, Prague.
2010-2014
Postdoctoral fellow in Prof. Hobza group, Institute of Organic Chemistry
and Biochemistry of the CAS, Prague.
2008,2010
Postdoctoral fellow in Prof. Holý group, , Institute of Organic Chemistry
and Biochemistry of the CAS, Prague.
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Latest publications

Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein–Ligand Scoring Functions with MD-Based Free Energy Calculations
Journal of Chemical Information and Modeling 65 (15): 8127–8136 (2025)
Multiscale Computational Protocols for Accurate Residue Interactions at the Flexible Insulin–Receptor Interface\r\n
Journal of Chemical Information and Modeling 65 (11): 5690–5705 (2025)
Phenyl-Substituted Thiaboranes─Linked 2D and 3D Aromatics as Noncovalent Organic Framework Materials
Inorganic Chemistry 64 (15): 7377–7387 (2025)