Publications

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Journal Articles

7.

Furmanchuk, Al’ona; Isayev, Olexandr; Shishkin, Oleg; Gorb, Leonid; Leszczynski, Jerzy

Hydration of nucleic acid bases: a Car–Parrinello molecular dynamics approach (Journal Article)

Physical Chemistry Chemical Physics, 12 (14), pp. 3363, 2010.

(Abstract | Links | BibTeX | Tags: Hydrogen Bonding, Molecular dynamics, Nucleic Acids)

6.

Kosenkov, Dmytro; Kholod, Yana; Gorb, Leonid; Shishkin, Oleg; Kuramshina, Gulnara; Dovbeshko, Galina; Leszczynski, Jerzy

Effect of a pH change on the conformational stability of the modified nucleotide queuosine monophosphate. (Journal Article)

The journal of physical chemistry. A, 113 (33), pp. 9386-95, 2009.

(Abstract | Links | BibTeX | Tags: Hydrogen Bonding, Molecular Conformation, thermodynamics)

5.

Zubatyuk, Roman; Shishkin, Oleg; Gorb, Leonid; Leszczynski, Jerzy

Homonuclear versus heteronuclear resonance-assisted hydrogen bonds: tautomerism, aromaticity, and intramolecular hydrogen bonding in heterocyclic systems with different exocyclic proton donor/acceptor. (Journal Article)

The journal of physical chemistry. A, 113 (12), pp. 2943-52, 2009.

(Abstract | Links | BibTeX | Tags: Heterocyclic Compounds, Hydrogen Bonding)

4.

Kosenkov, Dmytro; Gorb, Leonid; Shishkin, Oleg; Sponer, Jir'{i}; Leszczynski, Jerzy

Tautomeric equilibrium, stability, and hydrogen bonding in 2'-deoxyguanosine monophosphate complexed with Mg2+. (Journal Article)

The journal of physical chemistry. B, 112 (1), pp. 150-7, 2008.

(Abstract | Links | BibTeX | Tags: Hydrogen Bonding, Molecular Structure)

3.

Kosenkov, Dmytro; Gorb, Leonid; Shishkin, Oleg; Sponer, Jir'{i}; Leszczynski, Jerzy

Tautomeric equilibrium, stability, and hydrogen bonding in 2'-deoxyguanosine monophosphate complexed with Mg2+. (Journal Article)

The journal of physical chemistry. B, 112 (1), pp. 150-7, 2008.

(Abstract | Links | BibTeX | Tags: Hydrogen Bonding, Isomerism, Magnesium: chemistry, Molecular Structure)

2.

Zubatyuk, Roman; Volovenko, Yulian; Shishkin, Oleg; Gorb, Leonid; Leszczynski, Jerzy

Aromaticity-controlled tautomerism and resonance-assisted hydrogen bonding in heterocyclic enaminone-iminoenol systems. (Journal Article)

The Journal of organic chemistry, 72 (3), pp. 725-35, 2007.

(Abstract | Links | BibTeX | Tags: Heterocyclic Compounds: chemistry, Hydrogen Bonding, Molecular Structure, Quantum Theory, Stereoisomerism)

1.

Shishkin, Oleg; Palamarchuk, Gennady; Gorb, Leonid; Leszczynski, Jerzy

Intramolecular hydrogen bonds in canonical 2'-deoxyribonucleotides: an atoms in molecules study. (Journal Article)

The journal of physical chemistry. B, 110 (9), pp. 4413-22, 2006.

(Abstract | Links | BibTeX | Tags: Computer Simulation, Deoxyribonucleotides: chemistry, Hydrogen Bonding, Molecular Structure, Nucleic Acid Conformation, Quantum Theory)