Anthracyclines and ellipticines as DNA-damaging anticancer drugs: recent advances von Kizek, Rene, Adam, Vojtech, Hrabeta, Jan, Eckschlager, Tomas, Smutny, Svatopluk, Burda, Jaroslav V, Frei, Eva, Stiborova, Marie

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

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Reaction mechanism of Ru(II) piano-stool complexes: Umbrella sampling QM/MM MD study von Futera, Zdeněk, Burda, Jaroslav V.

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trans effect in square-planar platinum(II) complexes--A density functional study von Chval, Zdenek, Sip, Miroslav, Burda, Jaroslav V

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

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

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Hydration process as an activation of trans- and cisplatin complexes in anticancer treatment. DFT and ab initio computational study of thermodynamic and kinetic parameters von Burda, Jaroslav V., Zeizinger, Michal, Leszczynski, Jerzy

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A double-QM/MM method for investigating donor-acceptor electron-transfer reactions in solution von Futera, Zdenek, Sodeyama, Keitaro, Burda, Jaroslav V, Einaga, Yasuaki, Tateyama, Yoshitaka

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Quantum mechanical study of transition metal hydrides: Comparison of determined molecular properties with experimental data von Vavrečka, Adam, Fatková, Kateřina, Burda, Jaroslav V.

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Colorimetric detection of trace water in tetrahydrofuran using N,N'-substituted oxoporphyrinogens von Ishihara, Shinsuke, Labuta, Jan, Šikorský, Tomáš, Burda, Jaroslav V, Okamoto, Naoko, Abe, Hideki, Ariga, Katsuhiko, Hill, Jonathan P

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Binding of piano-stool Ru(II) complexes to DNA; QM/MM study von Futera, Zdeněk, Platts, James A., Burda, Jaroslav V.

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The vertical excitation energies and a lifetime of the two lowest singlet excited states of the conjugated polyenes from C2 to C22: Ab initio, DFT, and semiclassical MNDO‐MD simula... von Fatková, Kateřina, Cajzl, Radim, Burda, Jaroslav V.

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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 von Šebesta, Filip, Brela, Mateusz Z, Diaz, Silvia, Miranda, Sebastian, Murray, Jane S, Gutiérrez‐Oliva, Soledad, Toro‐Labbé, Alejandro, Michalak, Artur, Burda, Jaroslav V

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A Dogma in Doubt: Hydrolysis of Equatorial Ligands of Pt IV Complexes under Physiological Conditions von Kastner, Alexander, Poetsch, Isabella, Mayr, Josef, Burda, Jaroslav V, Roller, Alexander, Heffeter, Petra, Keppler, Bernhard K, Kowol, Christian R

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Activation barriers and rate constants for hydration of platinum and palladium square-planar complexes: an ab initio study von Burda, Jaroslav V, Zeizinger, Michal, Leszczynski, Jerzy

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Charge-scaled cavities in polarizable continuum model: determination of acid dissociation constants for platinum-amino acid complexes von Zimmermann, Tomás, Burda, Jaroslav V

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Vertical Excitation Energies and Lifetimes of the Two Lowest Singlet Excited States of Cytosine, 5‑Aza-cytosine, and the Triazine Family: Quantum Mechanics–Molecular Mechanics Stud... von Tichý, Ondřej, Pederzoli, Marek, Pittner, Jiří, Burda, Jaroslav V.

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Interactions of Ascorbic Acid with Satraplatin and its trans Analog JM576: DFT Computational Study von Šebesta, Filip, Burda, Jaroslav V.

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

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Cisplatin interaction with cysteine and methionine, a theoretical DFT study von Zimmermann, Tomáš, Zeizinger, Michal, Burda, Jaroslav V.

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