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List of works by Martin Dračínský

13C GIAO DFT calculation as a tool for configuration prediction of N-O group in saturated heterocyclic N-oxides.

scientific article published on 27 April 2012

8-Aza-7,9-dideazaxanthine acyclic nucleoside phosphonate inhibitors of thymidine phosphorylase.

scientific article published on 10 December 2010

9-[2-(R)-(Phosphonomethoxy)propyl]-2,6-diaminopurine (R)-PMPDAP and its prodrugs: optimized preparation, including identification of by-products formed, and antiviral evaluation in vitro

scientific article published on 9 January 2013

A New Analogue of Locked Cyclohexane Nucleic Acids

A general approach to iridoids by applying a new Julia olefination and a tandem anion-radical-carbocation crossover reaction

scientific article published in October 2016

A novel and efficient one-pot synthesis of symmetrical diamide (bis-amidate) prodrugs of acyclic nucleoside phosphonates and evaluation of their biological activities

scientific article published on 23 May 2011

A switchable intramolecular hydrogen bond in polysubstituted 5-nitrosopyrimidines

scientific article published on 27 September 2013

A π-Conjugated, Covalent Phosphinine Framework

scientific article published on 13 August 2019

An Extended Approach for the Development of Fluorogenic trans-Cyclooctene-Tetrazine Cycloadditions

article

Analysis of local molecular motions of aromatic sidechains in proteins by 2D and 3D fast MAS NMR spectroscopy and quantum mechanical calculations

scientific article

Benchmark Theoretical and Experimental Study on (15)N NMR Shifts of Oxidatively Damaged Guanine.

scientific article

Bioorthogonal Fluorescence Turn-On Labeling Based on Bicyclononyne-Tetrazine Cycloaddition Reactions that Form Pyridazine Products

scientific article published on 14 May 2019

Bisamidate Prodrugs of 2-Substituted 9-[2-(Phosphonomethoxy)ethyl]adenine (PMEA, adefovir) as Selective Inhibitors of Adenylate Cyclase Toxin from Bordetella pertussis.

scientific article

Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids

scientific article published on 13 February 2019

Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene

scientific article published on 14 June 2019

C6-substituted purine derivatives: an experimental and theoretical 1H, 13C and 15N NMR study

scientific article published on 26 February 2012

Can quantum-chemical NMR chemical shifts be used as criterion for force-field development

scientific article

Chemical constituents of Stereum subtomentosum and two other birch-associated basidiomycetes: an interspecies comparative study.

scientific article

Compound instability in dimethyl sulphoxide, case studies with 5-aminopyrimidines and the implications for compound storage and screening

scientific article published on 28 August 2012

Computational Analysis of Solvent Effects in NMR Spectroscopy

scientific article published on 23 November 2009

Computational and experimental evidence of through-space NMR spectroscopic J coupling of hydrogen atoms

scientific article published on 14 December 2011

Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions.

scientific article published on 2 July 2013

Conformationally locked nucleoside analogues based on the bridgehead substituted 7-oxonorbornane and their antiviral properties

Control of α/β Anomer Formation by a 2',5' Bridge: Toward Nucleoside Derivatives Locked in the South Conformation.

scientific article published on 3 October 2017

Cover Feature: A Systematic Study of Coumarin–Tetrazine Light‐Up Probes for Bioorthogonal Fluorescence Imaging (Chem. Eur. J. 44/2020)

scientific article published in 2020

Cytochrome P450-mediated metabolism of N-(2-methoxyphenyl)-hydroxylamine, a human metabolite of the environmental pollutants and carcinogens o-anisidine and o-nitroanisole

scientific article

Cytochrome b5 and epoxide hydrolase contribute to benzo[a]pyrene-DNA adduct formation catalyzed by cytochrome P450 1A1 under low NADPH:P450 oxidoreductase conditions.

scientific article published on 14 February 2014

Decarboxylative Organocatalytic Allylic Amination of Morita-Baylis-Hillman Carbamates

scientific article published on 17 August 2018

Design and Synthesis of Fluorescent Acyclic Nucleoside Phosphonates as Potent Inhibitors of Bacterial Adenylate Cyclases

scientific article published on 24 October 2016

Design and Synthesis of aza-Bicyclononene Dienophiles for Rapid Fluorogenic Ligations.

scientific article

Design, synthesis, and biological evaluation of novel coxsackievirus B3 inhibitors

scientific article published on 29 April 2010

Detection of Sugars via Chirality Induced in Europium(III) Compounds

scientific article

Determination of absolute configuration in chiral solvents with nuclear magnetic resonance. A combined molecular dynamics/quantum chemical study

scientific article published on 02 December 2014

Determination of nucleobase-pairing free energies from rotamer equilibria of 2-(methylamino)pyrimidines

scientific article published on 28 August 2019

Determination of the Nucleic Acid Adducts Structure at the Nucleoside/Nucleotide Level by NMR Spectroscopy

scientific article published on 13 January 2015

Determination of the antioxidative activity of substituted 5-aminopyrimidines

scientific article

Dihydrogen contacts observed by through-space indirect NMR coupling

scientific article published on 13 August 2018

Dimerization of Acetic Acid in the Gas Phase-NMR Experiments and Quantum-Chemical Calculations

scientific article published on 04 May 2020

Effects of quantum nuclear delocalisation on NMR parameters from path integral molecular dynamics

scientific article published on 16 January 2014

Efficient Synthesis of α-Branched Purine-Based Acyclic Nucleosides: Scopes and Limitations of the Method

scientific article published on 19 September 2020

Enantioselective complexation of 1-phenylethanol with chiral compounds bearing urea moiety.

scientific article published on 26 March 2018

Experimental and Theoretical Evidence of Spin-Orbit Heavy Atom on the Light Atom 1 H NMR Chemical Shifts Induced through H⋅⋅⋅I- Hydrogen Bond

scientific article published on 12 June 2020

Explicit versus implicit solvent modeling of Raman optical activity spectra

scientific article published on 21 March 2011

Exploring Systematic Discrepancies in DFT Calculations of Chlorine Nuclear Quadrupole Couplings

scientific article published on 5 May 2017

Formation, Persistence, and Identification of DNA Adducts Formed by the Carcinogenic Environmental Pollutant o-Anisidine in Rats

scientific article published on 08 March 2012

From norbornane-based nucleotide analogs locked in South conformation to novel inhibitors of feline herpes virus

scientific article published on 13 April 2014

Glycosylation protects proteins against free radicals generated from toxic xenobiotics

scientific article

Gold nanoclusters with bright near-infrared photoluminescence.

scientific article published on 7 February 2018

Improving the accuracy of solid-state nuclear magnetic resonance chemical shift prediction with a simple molecular correction

scientific article published on 01 July 2019

Influence of intramolecular charge transfer and nuclear quantum effects on intramolecular hydrogen bonds in azopyrimidines.

scientific article

Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations

scientific article published on 12 January 2017

Long-range heteronuclear coupling constants in 2,6-disubstituted purine derivatives

scientific article published on 01 April 2012

Mammalian peroxidases activate anticancer drug ellipticine to intermediates forming deoxyguanosine adducts in DNA identical to those foundin vivo and generated from 12-hydroxyellipticine and 13-hydroxyellipticine

scientific article published in 2006

Mechanism-Based Fluorogenic trans-Cyclooctene-Tetrazine Cycloaddition

scientific article published on 27 December 2016

Microwave assisted synthesis and solid-state characterization of lithocholyl amides of isomeric aminopyridines

scientific article published on 03 December 2010

Microwave-assisted hydrolysis of phosphonate diesters: an efficient protocol for the preparation of phosphonic acids

scientific article published in 2012

Molecules in confinement in clusters, quantum solvents and matrices: general discussion

scientific article published on 01 December 2018

Molecules in confinement in liquid solvents: general discussion

scientific article published on 01 December 2018

New prodrugs of Adefovir and Cidofovir

scientific article published on 22 April 2011

New prodrugs of two pyrimidine acyclic nucleoside phosphonates: Synthesis and antiviral activity

scientific article

Norbornane-based nucleoside and nucleotide analogues locked in North conformation

scientific article published on 15 November 2014

Novel substituted 9-norbornylpurines and their activities against RNA viruses

scientific article published in 2012

Observed and calculated 1H and 13C chemical shifts induced by the in situ oxidation of model sulfides to sulfoxides and sulfones.

scientific article published on September 2010

One-pot build-up procedure for the synthesis of variously substituted purine derivatives

article

One-pot three-component route for the synthesis of S-trifluoromethyl dithiocarbamates using Togni's reagent.

scientific article published on 24 November 2017

Oxidation of the carcinogenic non-aminoazo dye 1-phenylazo-2-hydroxy-naphthalene (Sudan I) by cytochromes P450 and peroxidases: a comparative study.

scientific article published on 28 September 2009

Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties

scientific article

Photoswitchable Intramolecular Hydrogen Bonds in 5-Phenylazopyrimidines Revealed By In Situ Irradiation NMR Spectroscopy

scientific article published on 2 November 2017

Photoswitching Behavior of 5-Phenylazopyrimidines: In Situ Irradiation NMR and Optical Spectroscopy Combined with Theoretical Methods

scientific article published on 27 April 2018

Polymorphic Transformation of Drugs Induced by Glycopolymeric Vesicles Designed for Anticancer Therapy Probed by Solid-State NMR Spectroscopy

scientific article published on 23 July 2019

Profiling and characterization of volatile secretions from the European stink bug Graphosoma lineatum (Heteroptera: Pentatomidae) by two-dimensional gas chromatography/time-of-flight mass spectrometry

scientific article published on 6 December 2011

Proton transfer in guanine-cytosine base pair analogues studied by NMR spectroscopy and PIMD simulations

scientific article published on 01 December 2018

Rearrangement of Dewar benzene derivatives studied by DFT.

scientific article published in February 2010

Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.

scientific article

Resolution of organic polymorphic crystals by Raman spectroscopy.

scientific article

Resonance-assisted stabilisation of hydrogen bonds probed by NMR spectroscopy and path integral molecular dynamics.

scientific article published on 6 August 2015

SAR studies of 9-norbornylpurines as Coxsackievirus B3 inhibitors

scientific article

Separation of planar rotamers through intramolecular hydrogen bonding in polysubstituted 5-nitrosopyrimidines.

scientific article published in December 2014

Single-Step Formation of Pyrimido[4,5-d]pyridazines by a Pyrimidine-Tetrazine Tandem Reaction.

scientific article

Solution and solid-state effects on NMR chemical shifts in sesquiterpene lactones: NMR, X-ray, and theoretical methods

scientific article published on 29 December 2011

Stereoselectivity in Glycosylation with Deoxofluorinated Glucosazide and Galactosazide Thiodonors

scientific article published on 07 May 2019

Surface Inclusion of Unidirectional Molecular Motors in Hexagonal Tris(o-phenylene)cyclotriphosphazene

scientific article

Synthesis and Biochemical Characterization of a Series of 17α-Perfluoroalkylated Estradiols as Selective Ligands for Estrogen Receptor α ⬇️

scientific article published on October 14, 2010

Synthesis and Evaluation of Asymmetric Acyclic Nucleoside Bisphosphonates as Inhibitors of Plasmodium falciparum and Human Hypoxanthine-Guanine-(Xanthine) Phosphoribosyltransferase.

scientific article published on 16 August 2017

Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases

scientific article

Synthesis and antiviral activities of hexadecyloxypropyl prodrugs of acyclic nucleoside phosphonates containing guanine or hypoxanthine and a (S)-HPMP or PEE acyclic moiety

scientific article

Synthesis and antiviral activity of N9-[3-fluoro-2-(phosphonomethoxy)propyl] analogues derived from N6-substituted adenines and 2,6-diaminopurines

scientific article published on 4 March 2011

Synthesis and biological evaluation of guanidino analogues of roscovitine.

scientific article published on 22 January 2013

Synthesis and biological properties of prodrugs of (S)-3-(adenin-9-yl)-2-(phosphonomethoxy)propanoic acid.

scientific article published on 12 December 2015

Synthesis and evaluation of symmetric acyclic nucleoside bisphosphonates as inhibitors of the Plasmodium falciparum, Plasmodium vivax and human 6-oxopurine phosphoribosyltransferases and the antimalarial activity of their prodrugs

scientific article published on 24 May 2017

Synthesis and in vitro cytotoxicity of acetylated 3-fluoro, 4-fluoro and 3,4-difluoro analogs of D-glucosamine and D-galactosamine

scientific article published on 20 April 2016

Synthesis of 9-phosphonoalkyl and 9-phosphonoalkoxyalkyl purines: evaluation of their ability to act as inhibitors of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases.

scientific article published on December 2011

Synthesis of Tetrasubstituted Thiophenes via Direct Metalation

scientific article published on 03 January 2020

Synthesis of ester prodrugs of 9-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]-2,6-diaminopurine (HPMPDAP) as anti-poxvirus agents

scientific article published on October 2010

Synthesis of locked cyclohexene and cyclohexane nucleic acids (LCeNA and LCNA) with modified adenosine units

scientific article published on 01 March 2015

Synthesis of novel azanorbornylpurine derivatives

Synthesis of novel purine-based coxsackievirus inhibitors bearing polycylic substituents at the N-9 position

scientific article

Synthesis of novel thienonorbornylpurine derivatives

Synthesis of purine N9-[2-hydroxy-3-O-(phosphonomethoxy)propyl] derivatives and their side-chain modified analogs as potential antimalarial agents

scientific article published on 30 December 2011

Synthesis of α-branched acyclic nucleoside phosphonates as potential inhibitors of bacterial adenylate cyclases

scientific article published on 13 December 2017

Temperature Dependence of NMR Parameters Calculated from Path Integral Molecular Dynamics Simulations

scientific article published on 8 February 2016

The effect of novel [3-fluoro-(2-phosphonoethoxy)propyl]purines on the inhibition of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases.

scientific article published on 22 June 2013

The observed and calculated 1H and 13C chemical shifts of tertiary amines and their N-oxides.

scientific article published on 31 March 2011

Theoretical modeling of magnesium ion imprints in the Raman scattering of water.

scientific article

Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations

scientific article

Turkish Scorzonera Species Extracts Attenuate Cytokine Secretion via Inhibition of NF-κB Activation, Showing Anti-Inflammatory Effect in Vitro.

scientific article published on 30 December 2015

Use of remote acyl groups for stereoselective 1,2-cis-glycosylation with fluorinated glucosazide thiodonors

scientific article published on 01 July 2020

Vibrational Properties of the Phosphate Group Investigated by Molecular Dynamics and Density Functional Theory

article

Vibrational averaging of the chemical shift in crystalline α‐glycine ⬇️

scientific article published on February 16, 2012

Xanthine-based acyclic nucleoside phosphonates with potent antiviral activity against varicella-zoster virus and human cytomegalovirus

scientific article published on 01 January 2018

NMR spektroskopie pro chemiky

book edition published in 2021

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