Publications by authors named "Filip Sebesta"

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Real-Time Tracking of Photoinduced Metal-Metal Bond Formation in a dd Di-Iridium Complex by Vibrational Coherence and Femtosecond Stimulated Raman Spectroscopy.
Miroslav Kloz, Jakub Dostál, Atripan Mukherjee, Martin Pižl, Filip Šebesta

J Am Chem Soc· March 2025

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pH control of the reaction mechanism: interactions of the Au(I)-NHC complex with thioredoxin reductase (modeled by cysteine and selenocysteine); and DFT calculations.
Filip Šebesta, Man Thi Hong Nguen, Markéta Munzarová, Jaroslav V Burda

Phys Chem Chem Phys· March 2025

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Single-step purification and characterization of Pseudomonas aeruginosa azurin.
Petra Riegerová, Matej Horváth, Filip Šebesta, Jan Sýkora, Miroslav Šulc

Protein Expr Purif· December 2024

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Determination of Amino Acids' p: Importance of Cavity Scaling within Implicit Solvation Models and Choice of DFT Functionals.
Filip Šebesta, Žofie Sovová, Jaroslav V Burda

J Phys Chem B· February 2024

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Tryptophan to Tryptophan Hole Hopping in an Azurin Construct.
Martin Melčák, Filip Šebesta, Jan Heyda, Harry B Gray, Stanislav Záliš

J Phys Chem B· January 2024

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Photoinduced hole hopping through tryptophans in proteins.
Stanislav Záliš, Jan Heyda, Filip Šebesta, Jay R Winkler, Harry B Gray

Proc Natl Acad Sci U S A· March 2021

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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.
Filip Šebesta, Jakub Šebera, Vladimír Sychrovský, Yoshiyuki Tanaka, Jaroslav V Burda

J Comput Chem· June 2020

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Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants.
Nad'a Špačková, Zuzana Trošanová, Filip Šebesta, Séverine Jansen, Jaroslav V Burda

Phys Chem Chem Phys· May 2018

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Redox Potentials for Tetraplatin, Satraplatin, Its Derivatives, and Ascorbic Acid: A Computational Study.
Filip Šebesta, Katarína Baxová, Jaroslav V Burda

Inorg Chem· February 2018

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The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study.
Filip Šebesta, Mateusz Z Brela, Silvia Diaz, Sebastian Miranda, Jane S Murray

J Comput Chem· December 2017

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

J Inorg Biochem· July 2017

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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.
Filip Šebesta, Jaroslav V Burda

J Phys Chem B· May 2017

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Estimation of Transition-Metal Empirical Parameters for Molecular Mechanical Force Fields.
Filip Šebesta, Vladislav Sláma, Josef Melcr, Zdeněk Futera, Jaroslav V Burda

J Chem Theory Comput· August 2016

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Reduction Process of Tetraplatin in the Presence of Deoxyguanosine Monophosphate (dGMP): A Computational DFT Study.
Filip Šebesta, Jaroslav V Burda

Chemistry· January 2016

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