Year |
Citation |
Score |
2020 |
Šebesta F, Šebera J, Sychrovský V, Tanaka Y, Burda JV. 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. PMID 32208552 DOI: 10.1002/Jcc.26194 |
0.603 |
|
2018 |
Špačková N, Trošanová Z, Šebesta F, Jansen S, Burda JV, Srb P, Zachrdla M, Žídek L, Kozelka J. 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. PMID 29696277 DOI: 10.1039/C7Cp08623G |
0.586 |
|
2018 |
Šebesta F, Baxová K, Burda JV. Redox Potentials for Tetraplatin, Satraplatin, Its Derivatives, and Ascorbic Acid: A Computational Study. Inorganic Chemistry. 57: 951-962. PMID 29363964 DOI: 10.1021/Acs.Inorgchem.7B01894 |
0.632 |
|
2018 |
Šebesta F, Burda JV. Cover Feature: Interactions of Ascorbic Acid with Satraplatin and its trans
Analog JM576: DFT Computational Study (Eur. J. Inorg. Chem. 13/2018) European Journal of Inorganic Chemistry. 2018: 1448-1448. DOI: 10.1002/Ejic.201800341 |
0.584 |
|
2018 |
Šebesta F, Burda JV. Interactions of Ascorbic Acid with Satraplatin and its trans
Analog JM576: DFT Computational Study European Journal of Inorganic Chemistry. 2018: 1481-1491. DOI: 10.1002/Ejic.201701334 |
0.586 |
|
2017 |
Šebesta F, Brela MZ, Diaz S, Miranda S, Murray JS, Gutiérrez-Oliva S, Toro-Labbé A, Michalak A, Burda JV. 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. PMID 28925001 DOI: 10.1002/Jcc.24911 |
0.619 |
|
2017 |
Šebesta F, Burda JV. Study on electronic properties, thermodynamic and kinetic parameters of the selected platinum(II) derivatives interacting with guanine. Journal of Inorganic Biochemistry. 172: 100-109. PMID 28448876 DOI: 10.1016/J.Jinorgbio.2017.04.006 |
0.645 |
|
2017 |
Šebesta F, Burda JV. 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. PMID 28394593 DOI: 10.1021/Acs.Jpcb.7B01427 |
0.628 |
|
2016 |
Šebesta F, Sláma V, Melcr J, Futera Z, Burda JV. Estimation of Transition-Metal Empirical Parameters for Molecular Mechanical Force Fields. Journal of Chemical Theory and Computation. 12: 3681-8. PMID 27337427 DOI: 10.1021/Acs.Jctc.6B00416 |
0.637 |
|
2016 |
Šebesta F, Burda JV. Reduction Process of Tetraplatin in the Presence of Deoxyguanosine Monophosphate (dGMP): A Computational DFT Study. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 1037-47. PMID 26663432 DOI: 10.1002/Chem.201503555 |
0.638 |
|
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