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Untangling Dual-Targeting Therapeutic Mechanism of Epidermal Growth Factor Receptor (EGFR) Based on Reversed Allosteric Communication.
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- Pharmaceutics, 2021, v. 13, n. 5, p. 747, doi. 10.3390/pharmaceutics13050747
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- Article
Quinuclidine-Based Carbamates as Potential CNS Active Compounds.
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- Pharmaceutics, 2021, v. 13, n. 3, p. 420, doi. 10.3390/pharmaceutics13030420
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- Article
Prominent Neuroprotective Potential of Indole-2- N -methylpropargylamine: High Affinity and Irreversible Inhibition Efficiency towards Monoamine Oxidase B Revealed by Computational Scaffold Analysis.
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- Pharmaceuticals (14248247), 2024, v. 17, n. 10, p. 1292, doi. 10.3390/ph17101292
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- Article
Synthesis, Computational Analysis, and Antiproliferative Activity of Novel Benzimidazole Acrylonitriles as Tubulin Polymerization Inhibitors: Part 2.
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- Pharmaceuticals (14248247), 2021, v. 14, n. 10, p. 1052, doi. 10.3390/ph14101052
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- Article
Why Monoamine Oxidase B Preferably Metabolizes N -Methylhistamine over Histamine: Evidence from the Multiscale Simulation of the Rate-Limiting Step.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 3, p. 1910, doi. 10.3390/ijms23031910
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- Article
Hydride Abstraction as the Rate-Limiting Step of the Irreversible Inhibition of Monoamine Oxidase B by Rasagiline and Selegiline: A Computational Empirical Valence Bond Study.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 17, p. 6151, doi. 10.3390/ijms21176151
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- Article
Indomethacin Increases Quercetin Affinity for Human Serum Albumin: A Combined Experimental and Computational Study and Its Broader Implications.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 16, p. 5740, doi. 10.3390/ijms21165740
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- Article
Is It Possible to Achieve Organic Superbases beyond the Basicity Limit Using Tetrahedrane Scaffolds?
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- ChemistrySelect, 2020, v. 5, n. 19, p. 5794, doi. 10.1002/slct.202001407
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- Article
How Important Is the Use of Cocaine and Amphetamines in the Development of Parkinson Disease? A Computational Study.
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- Neurotoxicity Research, 2020, v. 37, n. 3, p. 724, doi. 10.1007/s12640-019-00149-0
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- Article
Anionic versus Neutral Protonation-An Ab Initio Analysis with a Triadic Formula.
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- ChemPhysChem, 2002, v. 3, n. 8, p. 696, doi. 10.1002/1439-7641(20020816)3:8<696::AID-CPHC696>3.0.CO;2-C
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- Article
Gas-phase acidity of para-substituted benzoic acids—a triadic analysis of substituent effects.
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- Journal of Physical Organic Chemistry, 2005, v. 18, n. 8, p. 699, doi. 10.1002/poc.921
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- Article
On the Basicity of Organic Bases in Different Media.
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- European Journal of Organic Chemistry, 2019, v. 2019, n. 40, p. 6735, doi. 10.1002/ejoc.201900956
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- Article
On the Basicity of Conjugated Nitrogen Heterocycles in Different Media.
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- European Journal of Organic Chemistry, 2017, v. 2017, n. 30, p. 4475, doi. 10.1002/ejoc.201700749
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- Article
Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine.
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- Proteins, 2014, v. 82, n. 12, p. 3347, doi. 10.1002/prot.24690
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- Article
Relevance of Hydrogen Bonds for the Histamine H2 Receptor-Ligand Interactions: A Lesson from Deuteration†.
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- Biomolecules (2218-273X), 2020, v. 10, n. 2, p. 196, doi. 10.3390/biom10020196
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- Article
Self‐Assembly of Cobalt(II) Coordination Polymers with Differently Halosubstituted Nicotinate Ligands and 4,4'‐Bipyridine – The Effect of the Halosubstituent Positions on Polymer Types.
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- European Journal of Inorganic Chemistry, 2021, v. 2021, n. 15, p. 1470, doi. 10.1002/ejic.202100055
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- Article
From Hydrogen Peroxide-Responsive Boronated Nucleosides Towards Antisense Therapeutics - A Computational Mechanistic Study.
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- Croatica Chemica Acta, 2019, v. 92, n. 2, p. 287, doi. 10.5562/cca3592
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- Article
Hydrogen Bond Dynamics of Histamine Monocation in Aqueous Solution: How Geometric Parameters Influence the Hydrogen Bond Strength.
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- Croatica Chemica Acta, 2014, v. 87, n. 4, p. 397, doi. 10.5562/cca2512
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- Article
Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles -- An Interpretation by Triadic Analysis.
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- Croatica Chemica Acta, 2012, v. 85, n. 4, p. 495, doi. 10.5562/cca2121
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- Publication type:
- Article
Acidifying Effect of an N-Oxide Group - A Useful Motif in Enhancing Acidity towards Superacidic Values.
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- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 27
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- Article
Late transition metal complexes of ferrocene‐containing nitrogen ligands: Coordination chemistry, electron transfer properties, and tumor cell viability.
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- Applied Organometallic Chemistry, 2024, v. 38, n. 5, p. 1, doi. 10.1002/aoc.7415
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- Article
Chemistry of Spontaneous Alkylation of Methimazole with 1,2-Dichloroethane.
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- Molecules, 2021, v. 26, n. 22, p. 7032, doi. 10.3390/molecules26227032
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- Article
Superacidity of P(OH)<sub>3</sub> and SO(OH)<sub>2</sub> derivatives of cyclopentadiene and vinylcyclopentadiene in the gas phase: A computational DFT analysis.
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- International Journal of Quantum Chemistry, 2018, v. 118, n. 21, p. N.PAG, doi. 10.1002/qua.25754
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- Article
The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase Enzymes.
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- Frontiers in Neuroscience, 2016, p. 1, doi. 10.3389/fnins.2016.00327
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- Article
Appraising Moving Images: Assessing the Archival and Monetary Value of Film and Video Records.
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- 2004
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- Book Review
What a Difference a Methyl Group Makes: The Selectivity of Monoamine Oxidase B Towards Histamine and N-Methylhistamine.
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- Chemistry - A European Journal, 2017, v. 23, n. 12, p. 2915, doi. 10.1002/chem.201605430
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- Article
In Search of Ultrastrong Brønsted Neutral Organic Superacids: A DFT Study on Some Cyclopentadiene Derivatives.
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- Chemistry - A European Journal, 2004, v. 10, n. 22, p. 5751, doi. 10.1002/chem.200400337
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- Article
Experimental and Computational Study of the Antioxidative Potential of Novel Nitro and Amino Substituted Benzimidazole/Benzothiazole-2-Carboxamides with Antiproliferative Activity.
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- Antioxidants, 2019, v. 8, n. 10, p. 477, doi. 10.3390/antiox8100477
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- Article
The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands.
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- PLoS ONE, 2016, v. 11, n. 5, p. 1, doi. 10.1371/journal.pone.0154002
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- Article
5-Triazolyluracils and Their N¹-Sulfonyl Derivatives: Intriguing Reactivity Differences in the Sulfonation of Triazole N¹'-Substituted and N¹'-Unsubstituted Uracil Molecules.
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- European Journal of Organic Chemistry, 2015, v. 2015, n. 35, p. 7695, doi. 10.1002/ejoc.201501088
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- Article
How are Biogenic Amines Metabolized by Monoamine Oxidases? (Eur. J. Org. Chem. 36/2012).
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- European Journal of Organic Chemistry, 2012, v. 2012, n. 36, p. n/a, doi. 10.1002/ejoc.201290099
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- Article
How are Biogenic Amines Metabolized by Monoamine Oxidases?
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- European Journal of Organic Chemistry, 2012, v. 2012, n. 36, p. 7057, doi. 10.1002/ejoc.201201122
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- Article
Basicity of Amines in the Gas Phase – Analysis of the Base-Strengthening Effect of an N-Trityl Group by Use of a Triadic Formula.
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- European Journal of Organic Chemistry, 2006, v. 2006, n. 11, p. 2581, doi. 10.1002/ejoc.200500994
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- Article
Strong Acidity of Some Polycyclic Aromatic Compounds Annulated to a Cyclopentadiene Moiety and Their Cyano Derivatives – A Density Functional B3LYP Study.
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- European Journal of Organic Chemistry, 2005, v. 2005, n. 16, p. 3571, doi. 10.1002/ejoc.200500153
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- Article
The Acidity of Brønsted CH Acids in DMSO − The Extreme Acidity of Nonacyanocyclononatetraene.
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- European Journal of Organic Chemistry, 2004, v. 2004, n. 24, p. 5003, doi. 10.1002/ejoc.200400531
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- Article
Design of Strong, Neutral Organic Superacids: DFT-B3LYP Calculations on Some Isobenzofulvene Derivatives.
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- European Journal of Organic Chemistry, 2004, v. 2004, n. 9, p. 1940
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- Article
Potentiometric Surfactant Sensor for Anionic Surfactants Based on 1,3-dioctadecyl-1 H -imidazol-3-ium tetraphenylborate.
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- Chemosensors, 2022, v. 10, n. 12, p. 523, doi. 10.3390/chemosensors10120523
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- Article
Spectroscopic and Computational Study of the Protonation Equilibria of Amino-Substituted benzo[ b ]thieno[2,3- b ]pyrido[1,2- a ]benzimidazoles as Novel pH-Sensing Materials.
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- Chemosensors, 2022, v. 10, n. 1, p. 21, doi. 10.3390/chemosensors10010021
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- Article
A density functional theory study on the superacidity of sulfuric, fluorosulfuric, and triflic acid derivatives with two cyclopentadiene rings: ion pairs formation in the gas phase.
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- Journal of Physical Organic Chemistry, 2019, v. 32, n. 10, p. N.PAG, doi. 10.1002/poc.3995
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- Article
Protonation of Azines and Purines as a Model for the Electrophilic Aromatic Substitution -- Rationalization by Triadic Formula.
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- Acta Chimica Slovenica, 2011, v. 58, n. 3, p. 509
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- Article
Front Cover Picture: Expanding the Scope of Enantioselective Halohydrin Dehalogenases – Group B (Adv. Synth. Catal. 15/2022).
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- Advanced Synthesis & Catalysis, 2022, v. 364, n. 15, p. 2461, doi. 10.1002/adsc.202200715
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- Article
Expanding the Scope of Enantioselective Halohydrin Dehalogenases – Group B.
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- Advanced Synthesis & Catalysis, 2022, v. 364, n. 15, p. 2576, doi. 10.1002/adsc.202200342
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- Article
Potentiometric Surfactant Sensor Based on 1,3-Dihexadecyl-1 H -benzo[ d ]imidazol-3-ium for Anionic Surfactants in Detergents and Household Care Products.
- Published in:
- Molecules, 2021, v. 26, n. 12, p. 3627, doi. 10.3390/molecules26123627
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- Article
The Effect of Deuteration on the H 2 Receptor Histamine Binding Profile: A Computational Insight into Modified Hydrogen Bonding Interactions.
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- Molecules, 2020, v. 25, n. 24, p. 6017, doi. 10.3390/molecules25246017
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- Article
Novel Harmicines with Improved Potency against Plasmodium.
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- Molecules, 2020, v. 25, n. 19, p. 4376, doi. 10.3390/molecules25194376
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- Article
Novel Insights into the Thioesterolytic Activity of N-Substituted Pyridinium-4-oximes †.
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- Molecules, 2020, v. 25, n. 10, p. 2385, doi. 10.3390/molecules25102385
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- Article
Nucleobase-Guanidiniocarbonyl-Pyrrole Conjugates as Novel Fluorimetric Sensors for Single Stranded RNA.
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- Molecules, 2017, v. 22, n. 12, p. 2213, doi. 10.3390/molecules22122213
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- Article
Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitor.
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- Journal of Neural Transmission, 2013, v. 120, n. 6, p. 875, doi. 10.1007/s00702-013-1016-y
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- Article
Distinctive Nucleic Acid Recognition by Lysine-Embedded Phenanthridine Peptides.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 9, p. 4866, doi. 10.3390/ijms25094866
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- Article
The Chemistry of Neurodegeneration: Kinetic Data and Their Implications.
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- Molecular Neurobiology, 2016, v. 53, n. 5, p. 3400, doi. 10.1007/s12035-015-9284-1
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- Article