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.
Load more
Other sources

Latest publications

SQM2.20: Semiempirical quantum-mechanical scoring function yields DFT-quality protein–ligand binding affinity predictions in minutes
Nature Communications 15: 1127 (2024)
Chlorinated polyhedral selenaboranes revisited by joint experimental/computational efforts: the formation of closo-1-SeB9Cl9 and the crystal structure of closo-SeB11Cl11
Dalton Transactions 52 (45): 16886-16893 (2023)
Boron-based octahedral dication experimentally detected: DFT surface confirms its availability
RSC Advances 13 (28): 19627–19637 (2023)
DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability
Molecules 28 (8): 3645 (2023)