RNDr. Mgr. Arnošt Mládek, Ph.D.
kancelář: bud. A4/224
Kamenice 753/5
625 00 Brno
telefon: | 549 49 5398 |
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e‑mail: |
Počet publikací: 18
2019
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Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins
Journal of Chemical Theory and Computation, rok: 2019, ročník: 15, vydání: 10, DOI
2018
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Computational Molecular Modeling Techniques of Biomacromolecular Systems
Plant Structural Biology: Hormonal Regulations, vydání: Vyd. 1, rok: 2018, počet stran: 28 s.
2017
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Computational characterization of hybrid proteins containing ordered and intrinsically disordered regions
Rok: 2017, druh: Konferenční abstrakty
2015
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Quantum Chemical Benchmark Study on 46 RNA Backbone Families Using a Dinucleotide Unit
Journal of Chemical Theory and Computation, rok: 2015, ročník: 11, vydání: 10, DOI
2014
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Energies and 2 '-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations
Journal of Chemical Theory and Computation, rok: 2014, ročník: 10, vydání: 1, DOI
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Ion Binding to Quadruplex DNA Stems. Comparison of MM and QM Descriptions Reveals Sizable Polarization Effects Not Included in Contemporary Simulations
Journal of Chemical Theory and Computation, rok: 2014, ročník: 10, vydání: 3, DOI
2013
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Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory
Physical Chemistry Chemical Physics, rok: 2013, ročník: 15, vydání: 19, DOI
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How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists
Methods, rok: 2013, ročník: 64, vydání: 1, DOI
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Nature and Magnitude of Aromatic Base Stacking in DNA and RNA: Quantum Chemistry, Molecular Mechanics, and Experiment
Biopolymers, rok: 2013, ročník: 99, vydání: 12, DOI
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Relative Stability of Different DNA Guanine Quadruplex Stem Topologies Derived Using Large-Scale Quantum-Chemical Computations
Journal of the American Chemical Society, rok: 2013, ročník: 135, vydání: 26, DOI