Search Results - "BOUCHAL, Tomáš"

Importance of base-pair opening for mismatch recognition by Bouchal, Tomáš, Durník, Ivo, Illík, Viktor, Réblová, Kamila, Kulhánek, Petr

“…Abstract Mismatch repair is a highly conserved cellular pathway responsible for repairing mismatched dsDNA. Errors are detected by the MutS enzyme, which most…”
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AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules by Ionescu, Crina-Maria, Sehnal, David, Falginella, Francesco L., Pant, Purbaj, Pravda, Lukáš, Bouchal, Tomáš, Svobodová Vařeková, Radka, Geidl, Stanislav, Koča, Jaroslav

“…Background Partial atomic charges are a well-established concept, useful in understanding and modeling the chemical behavior of molecules, from simple…”
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High-quality and universal empirical atomic charges for chemoinformatics applications by Geidl, Stanislav, Bouchal, Tomáš, Raček, Tomáš, Svobodová Vařeková, Radka, Hejret, Václav, Křenek, Aleš, Abagyan, Ruben, Koča, Jaroslav

“…Background Partial atomic charges describe the distribution of electron density in a molecule and therefore provide clues to the chemical behaviour of…”
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Predicting pKa Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes by SVOBODOVA VAREKOVA, Radka, GEIDL, Stanislav, IONESCU, Crina-Maria, SKREHOTA, Ondřej, KUDERA, Michal, SEHNAL, David, BOUCHAL, Tomas, ABAGYAN, Ruben, HUBER, Heinrich J, KOCA, Jaroslav

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Evaluation of subsidence due to underground coal mining: an example from the Czech Republic by Marschalko, Marian, Bednárik, Martin, Yilmaz, Işık, Bouchal, Tomáš, Kubečka, Karel

“…This paper presents a case study dealing with variations on the ground surface due to the underground mining activities in the Ostrava–Karvina Coal District…”
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Utilization of an underground mining evaluation map incorporating the effect of landslides and surface flooding for land-use purpose by Marschalko, Marian, Yilmaz, Işık, Kubečka, Karel, Bouchal, Tomáš, Bednarik, Martin, Peňáz, Tomáš

“…A number of problems related to land use and foundations of new structures are encountered in underground mining areas. Potential suitability and/or…”
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An indicative method for determination of the most hazardous changes in slopes of the subsidence basins in underground coal mining area in Ostrava (Czech Republic) by Marschalko, Marian, Yilmaz, Isik, Křístková, Veronika, Fuka, Matěj, Kubečka, Karel, Bouchal, Tomáš

“…Considering growing population and decreasing mineral resource reserves, the issue of undermining has been and shall remain very topical. This study aims to…”
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Influence of the Soil Genesis on Physical and Mechanical Properties by Bouchal, Tomas, Kubečka, Karel, Fojtová, Lucie, Yilmaz, Işık, Marschalko, Marian, Bednárik, Martin

“…The paper deals with the influence of soil genesis on the physical-mechanical properties. The presented case study was conducted in the region of the Ostrava…”
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Bending of Canonical and G/T Mismatched DNAs by Bouchal, Tomáš, Durník, Ivo, Kulhánek, Petr

“…Mismatched base pairs alter the flexibility and intrinsic curvature of DNA. The role of such DNA features is not fully understood in the mismatch repair…”
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Predicting pK a values from EEM atomic charges by Vařeková, Radka Svobodová, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Bouchal, Tomáš, Sehnal, David, Abagyan, Ruben, Koča, Jaroslav

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Predicting pKa values from EEM atomic charges by Vařeková, Radka Svobodová, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Bouchal, Tomáš, Sehnal, David, Abagyan, Ruben, Koča, Jaroslav

“…The acid dissociation constant p K a is a very important molecular property, and there is a strong interest in the development of reliable and fast methods for…”
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Empirical charges for chemoinformatics applications by Bouchal, Tomáš, Vařeková, Radka Svobodová, Raček, Tomáš, Ionescu, Crina-Maria, Geidl, Stanislav, Křenek, Aleš, Koča, Jaroslav

“…Doc number: P60…”
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How the methodology of 3D structure preparation influences the quality of QSPR models? by Geidl, Stanislav, Beránek, Roman, Vařeková, Radka Svobodová, Bouchal, Tomáš, Brumovský, Miroslav, Kudera, Michal, Skřehota, Ondřej, Koča, Jaroslav

“…Doc number: P61…”
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Predicting pK a Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes by Svobodová Vařeková, Radka, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Kudera, Michal, Sehnal, David, Bouchal, Tomáš, Abagyan, Ruben, Huber, Heinrich J, Koča, Jaroslav

“…The acid dissociation (ionization) constant pK a is one of the fundamental properties of organic molecules. We have evaluated different computational…”
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Utilization of ground subsidence caused by underground mining to produce a map of possible land-use areas for urban planning purposes by Marschalko, Marian, Yilmaz, Işık, Kubečka, Karel, Bouchal, Tomaš, Bednárik, Martin, Drusa, Marián, Bendová, Miroslava

“…The presented work deals with a new type of map titled—a map of a possible area use for planned built-up area purposes in areas affected by underground…”
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In-situ remediation of the contaminated soils in Ostrava city (Czech Republic) by steam curing/vapor by Kempa, Tomáš, Marschalko, Marian, Yilmaz, Işık, Lacková, Eva, Kubečka, Karel, Stalmachová, Barbara, Bouchal, Tomaš, Bednárik, Martin, Drusa, Marián, Bendová, Miroslava

“…This study deals with an application of vapor in the remediation of soils in an extensive part of the Ostrava city center (Czech Republic) needed to be…”
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The Use of the Direct Optimized Probabilistic Calculation Method in Design of Bolt Reinforcement for Underground and Mining Workings by Bouchal, Tomas, Marschalko, Marian, Yilmaz, Işık, Janas, Petr, Krejsa, Martin

“…The load-carrying system of each construction should fulfill several conditions which represent reliable criteria in the assessment procedure. It is the theory…”
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Application of the Engineering-Geological Conditions in Land-Use Plans in the Petrvald Region (Czech Republic) by MARSCHALKO, Marian, YILMAZ, Işık, BEDNARIK, Martin, KUBEČKA, Karel, BOUCHAL, Tomáš

“…The objective of this paper is to demonstrate necessity to inform relevant parties about engineering‐geological conditions for various practical purposes,…”
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Predicting p K a Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes by Svobodová Vařeková, Radka, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Kudera, Michal, Sehnal, David, Bouchal, Tomáš, Abagyan, Ruben, Huber, Heinrich J., Koča, Jaroslav

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Predicting p Ka values from EEM atomic charges by Vařeková, Radka Svobodová, Geidl, Stanislav, Ionescu, Crina-Maria, Skřehota, Ondřej, Bouchal, Tomáš, Sehnal, David, Abagyan, Ruben, Koča, Jaroslav

“…: The acid dissociation constant p Ka is a very important molecular property, and there is a strong interest in the development of reliable and fast methods…”
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