Jaroslav V. Burda

Affiliations: 
Charles University, Prague, Czechia 
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"Jaroslav Burda"
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Matej Pavelka grad student 2003-2007 Charles University
Tomas Zimmermann grad student 2004-2008 Charles University
Michal Zeizinger grad student 2001-2009 Charles University
Zdenek Futera grad student 2007-2012 Charles University
Filip Sebesta grad student 2013-2017 Charles University
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Šebesta F, Šebera J, Sychrovský V, et al. (2020) QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH. Journal of Computational Chemistry
Chval Z, Dvořáčková O, Chvalová D, et al. (2019) Square-Planar Pt(II) and Ir(I) Complexes as the Lewis Bases: Donor-Acceptor Adducts with Group 13 Trihalides and Trihydrides. Inorganic Chemistry. 58: 3616-3626
Špačková N, Trošanová Z, Šebesta F, et al. (2018) Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants. Physical Chemistry Chemical Physics : Pccp. 20: 12664-12677
Šebesta F, Baxová K, Burda JV. (2018) Redox Potentials for Tetraplatin, Satraplatin, Its Derivatives, and Ascorbic Acid: A Computational Study. Inorganic Chemistry. 57: 951-962
Šebesta F, Brela MZ, Diaz S, et al. (2017) The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study. Journal of Computational Chemistry
Šebesta F, Burda JV. (2017) Study on electronic properties, thermodynamic and kinetic parameters of the selected platinum(II) derivatives interacting with guanine. Journal of Inorganic Biochemistry. 172: 100-109
Šebesta F, Burda JV. (2017) Side Reactions with an Equilibrium Constraint: Detailed Mechanism of the Substitution Reaction of Tetraplatin with dGMP as a Starting Step of the Platinum(IV) Reduction Process. The Journal of Physical Chemistry. B. 121: 4400-4413
Šebesta F, Sláma V, Melcr J, et al. (2016) Estimation of Transition-Metal Empirical Parameters for Molecular Mechanical Force Fields. Journal of Chemical Theory and Computation. 12: 3681-8
Zábojníková T, Cajzl R, Kljun J, et al. (2016) Interactions of the "piano-stool" [ruthenium(II)(η(6) -arene)(quinolone)Cl](+) complexes with water; DFT computational study. Journal of Computational Chemistry
Šebesta F, Burda JV. (2016) Reduction Process of Tetraplatin in the Presence of Deoxyguanosine Monophosphate (dGMP): A Computational DFT Study. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 1037-47
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