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In silico study of effects of polymorphisms on biophysical chemical properties of oxidized N-terminal domain of X-ray cross-complementing group 1 protein.
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- Biochemistry (00062979), 2014, v. 79, n. 1, p. 31, doi. 10.1134/S0006297914010052
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- Article
Solvent Dielectric Effect and Side Chain Mutation on the Structural Stability of Burkholderia cepacia Lipase Active Site: A Quantum Mechanical/Molecular Mechanics Study.
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- Acta Biotheoretica, 2011, v. 59, n. 3/4, p. 291, doi. 10.1007/s10441-011-9137-x
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- Article
ANALYSIS OF LOCALIZED ORBITALS IN AZABORA DERIVATIVES OF [8] ANNULENE: IN THE VIEWPOINT OF AROMATICITY AND INDUCED RING CURRENTS.
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- Journal of Structural Chemistry, 2020, v. 61, n. 10, p. 1551, doi. 10.1134/S0022476620100078
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- Article
Molecular Structural Properties of [n]-Annulene (n = 8, 10, 12, 14) and its Boron Nitride Derivatives: Analysis of NMR, NBO, ELF and PDI.
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- Journal of Structural Chemistry, 2020, v. 61, n. 2, p. 207, doi. 10.1134/S0022476620020055
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- Article
Aromaticity and Induced Current Study of C<sub>8</sub>H<sub>8</sub><sup>(n+2)</sup> (n = −6, −4, −2, 0): In the Viewpoint of Huckel's Rule.
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- Journal of Structural Chemistry, 2019, v. 60, n. 9, p. 1361, doi. 10.1134/S0022476619090014
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- Article
A Comparison of NH<sub>5</sub><sup>2+</sup> and CH<sub>5</sub><sup>+</sup> Ions and Deuterated Variants of NH<sub>x</sub>D<sub>(5− x)</sub><sup>2+</sup>: Real or Artefactual Rotation?
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- Journal of Structural Chemistry, 2019, v. 60, n. 5, p. 713, doi. 10.1134/S0022476619050032
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- Article
A percolation model for carbon nanotube-polymer composites using the Mandelbrot-Given curve.
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- Journal of Structural Chemistry, 2011, v. 52, n. 1, p. 54, doi. 10.1134/S0022476611010070
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- Article
Density functional B3LYP and B3PW91 studies of the properties of four cyclic organodiboranes with tetramethylene fragments.
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- Journal of Structural Chemistry, 2010, v. 51, n. 3, p. 437, doi. 10.1007/s10947-010-0065-4
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- Article
NQR and NMR study of hydrogen bonding interactions in anhydrous and monohydrated guanine cluster model: A computational study.
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- Journal of Structural Chemistry, 2009, v. 50, n. 1, p. 67, doi. 10.1007/s10947-009-0009-z
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- Article
Theoretical studies on the structures, properties, and aromaticities of fluorinated arsabenzenes.
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- Journal of Structural Chemistry, 2008, v. 49, n. 4, p. 600, doi. 10.1007/s10947-008-0083-7
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- Article
Calculation of the magnetic resonance isotropy tensors of the nucleus of POPC phospholipid bilayers in a cell membrane.
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- Ukrainian Journal of Ecology, 2018, v. 8, n. 1, p. 165, doi. 10.15421/2018_202
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- Article
TEMPERATURE EFFECTS ON THE STOCHASTIC GATING OF THE IP3R CALCIUM RELEASE CHANNEL:: A NUMERICAL SIMULATION STUDY.
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- Journal of Biological Systems, 2009, v. 17, n. 4, p. 817, doi. 10.1142/S0218339009003058
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- Article
Thermodynamic study of interaction of TSPP, CoTsPc, and FeTsPc with calf thymus DNA.
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- Biochemistry (00062979), 2007, v. 72, n. 6, p. 652, doi. 10.1134/S0006297907060089
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- Article
Study of the hydrogen bond in different orientations of adenine-thymine base pairs: Anab initiostudy.
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- Biochemistry (00062979), 2005, v. 70, n. 3, p. 366, doi. 10.1007/s10541-005-0123-2
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- Article
Kinetic Stabilization of Lysozyme upon Interactions with β-Cyclodextrin through Partial Unfolding.
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- Journal of the Iranian Chemical Society, 2011, v. 8, n. 2, p. 553, doi. 10.1007/BF03249090
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- Article
THE EFFECT OF DIFFERENT SOLVENTS AND TEMPERATURES ON STABILITY OF SINGLE-WALLED CARBON NANOTUBE:: A QM/MD STUDY.
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- International Journal of Nanoscience, 2010, v. 9, n. 5, p. 517, doi. 10.1142/S0219581X10007071
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- Article
Structural Studies and Investigation of NMR Shielding Tensors in Coordination of Magnesium Hydrate to Purine Nucleotide 5'-Monophosphates (AMP, GMP, IMP).
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- Main Group Metal Chemistry, 2005, v. 28, n. 2, p. 71
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- Article
Thermodynamic Complexation of Dopamine with Magnesium (II) in Media with Different Dielectric Constants.
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- Main Group Metal Chemistry, 2008, v. 31, n. 1/2, p. 81
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- Article
Bond Energies and Phosphate-Coordination of Magnesium Hydrate to Pyrimidine Nucleotide 5'- Monophosphates (CMP, UMP, dTMP) and NMR Shielding Tensors.
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- Main Group Metal Chemistry, 2005, v. 28, n. 5, p. 247
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- Article
Quantum Chemical Parameters of Some Organic Corrosion Inhibitors, Pyridine, 2-Picoline 4-Picoline and 2,4-Lutidine, Adsorption at Aluminum Surface in Hydrocholoric and Nitric Acids and Comparison Between Two Acidic Media.
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- Main Group Metal Chemistry, 2003, v. 26, n. 6, p. 349
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- Article
RATIONALIZING THE STRENGTH OF HYDROGEN-BONDING OF MOLYBDATE-PHOSPHONIC ACID COMPLEX: DENSITY FUNCTIONAL THEORY STUDIES.
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- Reviews in Inorganic Chemistry, 2009, v. 29, n. 3, p. 181
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Synthesis of Nano Conducting Polymer Based Polyaniline and it's Composite: Mechanical Properties, Conductivity and Thermal Studies.
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- E-Journal of Chemistry, 2010, v. 7, n. 1, p. 105, doi. 10.1155/2010/963690
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Substituent and solvent effects on the structural bioactivity and anticancer characteristic of catechin as a bioactive constituent of green tea.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 12, p. 2771, doi. 10.1002/qua.22612
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NMR and Solvent Effect Study on the Thymine-Adenine-Thymine Sequence: A Theoretical Investigation on chemical behavior of Nucleotides in solution.
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- Egyptian Journal of Biochemistry & Molecular Biology, 2008, v. 26, n. 1, p. 83, doi. 10.4314/ejbmb.v26i1.35959
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- Article