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- Petr Jurecka, Jirí Sponer, Jirí Cerný, Pavel Hobza
- Physical chemistry chemical physics : PCCP
- 2006

MP2 and CCSD(T) complete basis set (CBS) limit interaction energies and geometries for more than 100 DNA base pairs, amino acid pairs and model complexes are for the first time presented together. Extrapolation to the CBS limit is done by using two-point extrapolation methods and different basis sets (aug-cc-pVDZ - aug-cc-pVTZ, aug-cc-pVTZ - aug-cc-pVQZ,… (More)

- MARTIN NOVÁK, JAMES W. KIRCHNER, +4 authors FRANTIŠEK BUZEK
- 2000

Sulfur fluxes and dS values were determined in two acidified small watersheds located near the Czech–German border, Central Europe. Sulfur of sulfate aerosol in the broader region (mean dS of 7.5‰ CDT) was isotopically heavier than sulfur of airborne SO2 (mean d S of 4.7‰). The annual atmospheric S deposition to the Jezeřı́ watershed decreased markedly in… (More)

- Jiří Černý, Barbora Černá Bolfíková, James J. Valdés, Libor Grubhoffer, Daniel Růžek
- PloS one
- 2014

Viral RNA dependent polymerases (vRdPs) are present in all RNA viruses; unfortunately, their sequence similarity is too low for phylogenetic studies. Nevertheless, vRdP protein structures are remarkably conserved. In this study, we used the structural similarity of vRdPs to reconstruct their evolutionary history. The major strength of this work is in… (More)

- JIŘÍ ČERNÝ
- 2009

We study the trajectory of a simple random walk on a d-regular graph with d ≥ 3 and locally tree-like structure as the number n of vertices grows. Examples of such graphs include random d-regular graphs and large girth expanders. For these graphs, we investigate percolative properties of the set of vertices not visited by the walk until time un, where u > 0… (More)

- Jirí Cerný, Augusto Teixeira
- Random Struct. Algorithms
- 2013

We consider the simple random walk on a random d-regular graph with n vertices, and investigate percolative properties of the set of vertices not visited by the walk until time un, where u > 0 is a fixed positive parameter. It was shown in [ČTW11] that this so-called vacant set exhibits a phase transition at u = u?: there is a giant component if u < u? and… (More)

- Daniel Jancula, Michaela Drábková, +4 authors Blahoslav Marsálek
- Environmental toxicology
- 2008

Phthalocyanines and their analogues show great potential as photodynamic agents producing reactive oxygen species (ROS), especially in medicine. However, their biocidal effects may also be employed to inhibit various undesirable organisms. This study explores their potential algicidal effects. The laboratory tests concern the effects of various… (More)

- Premysl Mikula, Libor Kalhotka, +5 authors Petr Toman
- Journal of photochemistry and photobiology. B…
- 2014

We analyzed antibacterial effects of several novel phthalocyanines against Escherichia coli and evaluated the suitability of flow cytometry for the detection of antibacterial effects of phthalocyanines in comparison with routinely used cultivation. After 3h of exposure under cool white light eight cationic phthalocyanines showed very high antibacterial… (More)

- Jiří Černý, Serguei Popov
- 2012

We prove a shape theorem for the internal (graph) distance on the interlacement set I of the random interlacement model on Z, d ≥ 3. We provide large deviation estimates for the internal distance of distant points in this set, and use these estimates to study the internal distance on the range of a simple random walk on a discrete torus.

- Jǐrí Černý
- 2011

We consider a random walk among unbounded random conductances on the two-dimensional integer lattice. When the distribution of the conductances has an infinite expectation and a polynomial tail, we show that the scaling limit of this process is the fractional kinetics process. This extends the results of the paper [BČ10] where a similar limit statement was… (More)

- Elizabeth Barratt, Agnieszka Bronowska, +4 authors Steve W Homans
- Journal of molecular biology
- 2006

Here, we examine the thermodynamic penalty arising from burial of a polar group in a hydrophobic pocket that forms part of the binding-site of the major urinary protein (MUP-I). X-ray crystal structures of the complexes of octanol, nonanol and 1,8 octan-diol indicate that these ligands bind with similar orientations in the binding pocket. Each complex is… (More)