Filip Šebesta

发表

Computational Study of Organometallic Interactions with Models of DNA/RNA and Proteins Using Tools of Quantum Chemistry and Molecular Mechanics.

Filip Šebesta, 2017 .

Photoinduced hole hopping through tryptophans in proteins

H. Gray, J. Heyda, J. Winkler, 2021, Proceedings of the National Academy of Sciences.

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.

J. Burda, Filip Šebesta, 2017, The journal of physical chemistry. B.

Interactions of Ascorbic Acid with Satraplatin and its trans Analog JM576: DFT Computational Study

J. Burda, Filip Šebesta, 2018 .

Study on electronic properties, thermodynamic and kinetic parameters of the selected platinum(II) derivatives interacting with guanine.

J. Burda, Filip Šebesta, 2017, Journal of inorganic biochemistry.

Reduction Process of Tetraplatin in the Presence of Deoxyguanosine Monophosphate (dGMP): A Computational DFT Study.

J. Burda, Filip Šebesta, 2016, Chemistry.

Metal Interactions with Nucleobases, Base Pairs, and Oligomer Sequences; Computational Approach

J. Burda, Filip Šebesta, 2016 .

Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants.

N. Špačková, L. Žídek, Milan Zachrdla, 2018, Physical chemistry chemical physics : PCCP.

The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study

Mateusz Z. Brela, J. Murray, A. Toro‐Labbé, 2017, Journal of computational chemistry.

New Cryptographic Key Management for Smart Grid

Filip Šebesta, Filip Šebesta, 2013 .

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

Yoshiyuki Tanaka, Jaroslav V Burda, Filip Šebesta, 2020, J. Comput. Chem..

A new grand-canonical potential for the thermodynamic description of the reactions in solutions with constant pH

T. Zimmermann, J. Burda, Filip Šebesta, 2021 .

Redox Potentials for Tetraplatin, Satraplatin, Its Derivatives, and Ascorbic Acid: A Computational Study.

J. Burda, Filip Šebesta, Katarína Baxová, 2018, Inorganic chemistry.

The influence of the metal cations and microhydration on the reaction trajectory of the N3 [LEFT RIGHT ARROW] O2 thymine proton transfer: Quantum mechanical study

Jaroslav V. Burda, Sebastian Miranda, Soledad Gutiérrez-Oliva, 2017, Journal of Computational Chemistry.