RNDr. Bc. Arnošt Mládek

Basic CV Supervisor Qualifications Publications Projects Teaching

2012

Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics

BANÁŠ, Pavel - MLÁDEK, Arnošt - OTYEPKA, Michal - ZGARBOVA, Marie - JURECKA, Petr - SVOZIL, Daniel - LANKAŠ, Filip - ŠPONER, Jiří.
Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics. Journal of Chemical Theory and Computation, WASHINGTON, AMER CHEMICAL SOC, USA. ISSN 1549-9618, 2012, vol. 8, no. 7, pp. 2448-2460.

Formamide-Based Prebiotic Synthesis of Nucleobases: A Kinetically Accessible Reaction Route

ŠPONEROVÁ, Judit - MLÁDEK, Arnošt - ŠPONER, Jiří - FUENTES-CABRERA, Miguel.
Formamide-Based Prebiotic Synthesis of Nucleobases: A Kinetically Accessible Reaction Route. The Journal of Physical Chemistry A, Washington, American Chemical Society, USA. ISSN 1089-5639, 2012, vol. 116, no. 1, pp. 720-726.

On the Road from Formamide Ices to Nucleobases: IR-Spectroscopic Observation of a Direct Reaction between Cyano Radicals and Formamide in a High-Energy Impact Event

FERUS, Martin - CIVIS, Svatopluk - MLÁDEK, Arnošt - ŠPONER, Jiří - JUHA, Libor - ŠPONEROVÁ, Judit.
On the Road from Formamide Ices to Nucleobases: IR-Spectroscopic Observation of a Direct Reaction between Cyano Radicals and Formamide in a High-Energy Impact Event. Journal of the American Chemical Society, WASHINGTON, American Chemical Society, USA. ISSN 0002-7863, 2012, vol. 134, no. 51, pp. 20788-20796.

The DNA and RNA sugar–phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies

ŠPONER, Jiří - MLÁDEK, Arnošt - ŠPONEROVÁ, Judit - SVOZIL, Daniel - ZGARBOVÁ, Marie - BANÁŠ, Pavel - JUREČKA, Petr - OTYEPKA, Michal.
The DNA and RNA sugar–phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, CAMBRIDGE, ROYAL SOC CHEMISTRY, Great Britain. ISSN 1463-9076, 2012, vol. 14, no. 44, pp. 15257-15277.

Understanding the Sequence Preference of Recurrent RNA Building Blocks using Quantum Chemistry: The Intrastrand RNA Dinucleotide Platform

MLÁDEK, Arnošt - ŠPONEROVÁ, Judit - KULHÁNEK, Petr - LU, Xiang-Jun - OLSON, Wilma K. - ŠPONER, Jiří.
Understanding the Sequence Preference of Recurrent RNA Building Blocks using Quantum Chemistry: The Intrastrand RNA Dinucleotide Platform. Journal of Chemical Theory and Computation, Washington, ACS, USA. ISSN 1549-9618, 2012, vol. 8, no. 1, pp. 335-347.

2010

Conformational Energies of DNA Sugar Phosphate Backbone: Reference QM Calculations and a Comparison with Density Functional Theory and Molecular Mechanics

MLÁDEK, Arnošt - ŠPONEROVÁ, Judit - JUREČKA, Petr - BANÁŠ, Pavel - OTYEPKA, Michal - SVOZIL, Daniel - ŠPONER, Jiří.
Conformational Energies of DNA Sugar Phosphate Backbone: Reference QM Calculations and a Comparison with Density Functional Theory and Molecular Mechanics. Journal of Chemical Theory and Computation. ISSN 1549-9618, 2010, vol. 6/2010, no. 12, pp. 3817-3835.

2009

Trans Hoogsteen/Sugar Edge Base Pairing in RNA. Structures, Energies, and Stabilities from Quantum Chemical Calculations

MLÁDEK, Arnošt - SHARMA, Purshotam - MITRA, Abhijit - BHATTACHARYYA, Dhananjay - ŠPONER, Jiří - ŠPONER, Judit.
Trans Hoogsteen/Sugar Edge Base Pairing in RNA. Structures, Energies, and Stabilities from Quantum Chemical Calculations. Journal of Physical Chemistry B. ISSN 1520-6106, 2009, vol. 113, no. 6, 1743–1755-13 pp.

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