Miroslav Hodak

Binding of Copper and Cisplatin to Atox1 Is Mediated by Glutathione through the Formation of Metal–Sulfur Clusters

Biochemistry, 56(24), 3129–3141.

Selective sensing of ethylene and glucose using carbon-nanotube-based sensors: an ab initio investigation

Nanoscale, 9(4), 1687–1698.

Mechanisms of NH3 and NO2 detection in carbon-nanotube-based sensors: An ab initio investigation

Carbon, 101, 177–183.

Enzymatic Mechanism of Copper-Containing Nitrite Reductase

Biochemistry, 54(5), 1233–1242.

Mechanism of copper(II)-induced misfolding of Parkinson's disease protein

Scientific Reports, 1.

Insights into prion protein function from atomistic simulations

PRION, 4(1), 13–19.

Functional implications of multistage copper binding to the prion protein

Proceedings of the National Academy of Sciences, 106(28), 11576–11581.

Hybrid ab initio Kohn-Sham density functional theory/frozen-density orbital-free density functional theory simulation method suitable for biological systems

Journal of Chemical Physics, 128(1).

Recent developments and applications of the real-space multigrid method

Journal of Physics. Condensed Matter, 20(29).

Implementation of ultrasoft pseudopotentials in large-scale grid-based electronic structure calculations

PHYSICAL REVIEW B, 76(8).

Systems of C-60 molecules inside (10,10) and (15,15) nanotube: A Monte Carlo study

PHYSICAL REVIEW B, 68(8).