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Electron Correlated Ab Initio Study of Amino Group Flexibility for Improvement of Molecular Mechanics Simulations on Nucleic Acid Conformations and Interactions

Journal of biological physics, 2007-12, Vol.33 (5-6), p.499-514

2007

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Analysis of the conformational features of Watson–Crick duplex fragments by molecular mechanics and quantum mechanics methods

Biophysics (Oxford), 2016-03, Vol.61 (2), p.217-226

2016

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DFT study of DNA sequence dependence at the level of dinucleoside monophosphates

Computational and theoretical chemistry, 2011-11, Vol.975 (1), p.69-75

2011

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Computational investigation of the role of hydration in nucleic acid structure and function

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1499-1514

1992

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Computational study of the molecular mechanisms of caffeine action: Caffeine complexes with adenosine receptors

International journal of quantum chemistry, 2010-03, Vol.110 (3), p.681-688

2010

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Interactions of DNA bases with individual water molecules. Molecular mechanics and quantum mechanics computation results vs. experimental data

Biophysics (Oxford), 2013-09, Vol.58 (5), p.583-591

2013

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Molecular Mechanisms of Caffeine Biological Effects. Computer Simulation of Competition with Adenosine for Binding Sites of Receptors

Matematicheskai︠a︡ biologii︠a︡ i bioinformatika = Mathematical biology and bioinformatics, 2014-11, Vol.9 (2), p.373-385

2014

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Caffeine interactions with nucleic acids. Molecular mechanics calculations of model systems for explanation of mechanisms of biological actions

Theoretical chemistry accounts, 2003-12, Vol.110 (6), p.466-472

2003

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The study of protein-nucleic acid recognition: Simulation of base and «model» amino acids complexes in DMSO by Monte Carlo method

Biopolimery i kletka, 1997, Vol.13 (3), p.177-184

1997

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Monte Carlo study of three-dimensional organization of water molecules around DNA fragments

Theoretical chemistry accounts, 2003-12, Vol.110 (6), p.460-465

2003

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Modeling of conformational and stability changes of DNA double helix in genotoxic modification of bases. I. low-energy conformations of native duplex

Molecular biology (New York), 1997-09, Vol.31 (5), p.722-728

1997

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Nature of the stacking interaction of nucleotide bases in water: a Monte Carlo study of the hydration of uracil molecule associates

FEBS letters, 1984-02, Vol.167 (2), p.245-248

1984

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Structure and properties of poly(dA) ·poIy(dT) and A : T sites in DNA. Calculations of the energy of nonvalent interactions in the system consisting of a regular polynucleotide and two hydration shells in its minor groove

Biopolimery i kletka, 1988-07, Vol.4 (4), p.182-187

1988

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A Monte Carlo simulation of purine series alkaloids' stacking

Biopolimery i kletka, 1991-09, Vol.7 (5), p.5-14

1991

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Nature of the stacking interactions of nucleotide bases in water: a Monte Carlo study of the hydration of thymine molecule associates

FEBS letters, 1984, Vol.171 (2), p.325-328

1984

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Simulation of conformational possibilities of DNA via calculation of nonbonded interactions of complementary dinucleoside phosphate complexes

Biopolymers, 1981-01, Vol.20 (1), p.1-15

1981

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DFT Study of B-like Conformations of Deoxydinucleoside Monophosphates Containing Gua and/or Cyt and their Complexes with Na super(+) Cation

Journal of biomolecular structure & dynamics, 2008-04, Vol.25 (5), p.563-571

2008

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The formation of mispairs by 8-oxyguanine as a pathway of mutations induced by irradiation and oxygen radicals

Journal of molecular recognition, 1990-06, Vol.3 (3), p.136-136

Poltev, V. I.

1990

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Atom-atom potential functions for simulation of DNA—counterion interaction in aqueous solution

Russian chemical bulletin, 1998-11, Vol.47 (11), p.2098-2105

1998

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Conformational implications of some nucleotide sequences

International journal of quantum chemistry, 1989-01, Vol.35 (1), p.91-102

1989

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Simulation of intermolecular and intramolecular interactions of nucleic acid subunits by means of atom-atom potential functions

International journal of quantum chemistry, 1979-10, Vol.16 (4), p.863-868

Poltev, V. I.

1979

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Comparative study of three systems of potential functions for simulation of nucleic acid hydration

Russian chemical bulletin, 1995-07, Vol.44 (7), p.1333-1338

1995

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Modeling DNA hydration: Comparison of calculated and experimental hydration properties of nucleic acid bases

Journal of biomolecular structure & dynamics, 1996-02, Vol.13 (4), p.717-722

1996

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Study of mechanisms of some caffeine biological effects via computer simulation of its interactions with DNA fragments

Journal of molecular structure. Theochem, 2006-09, Vol.769 (1), p.97-101

2006

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Conformations of DNA duplexes containing 8-oxoguanine

Journal of biomolecular structure & dynamics, 1993, Vol.11 (2), p.293-301

1993

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Electron Correlated Ab Initio Study of Amino Group Flexibility for Improvement of Molecular Mechanics Simulations on Nucleic Acid Conformations and Interactions

Analysis of the conformational features of Watson–Crick duplex fragments by molecular mechanics and quantum mechanics methods

DFT study of DNA sequence dependence at the level of dinucleoside monophosphates

Computational investigation of the role of hydration in nucleic acid structure and function

Computational study of the molecular mechanisms of caffeine action: Caffeine complexes with adenosine receptors

Interactions of DNA bases with individual water molecules. Molecular mechanics and quantum mechanics computation results vs. experimental data

Molecular Mechanisms of Caffeine Biological Effects. Computer Simulation of Competition with Adenosine for Binding Sites of Receptors

Caffeine interactions with nucleic acids. Molecular mechanics calculations of model systems for explanation of mechanisms of biological actions

The study of protein-nucleic acid recognition: Simulation of base and «model» amino acids complexes in DMSO by Monte Carlo method

Monte Carlo study of three-dimensional organization of water molecules around DNA fragments

Modeling of conformational and stability changes of DNA double helix in genotoxic modification of bases. I. low-energy conformations of native duplex

Nature of the stacking interaction of nucleotide bases in water: a Monte Carlo study of the hydration of uracil molecule associates

Structure and properties of poly(dA) ·poIy(dT) and A : T sites in DNA. Calculations of the energy of nonvalent interactions in the system consisting of a regular polynucleotide and two hydration shells in its minor groove

A Monte Carlo simulation of purine series alkaloids' stacking

Nature of the stacking interactions of nucleotide bases in water: a Monte Carlo study of the hydration of thymine molecule associates

Simulation of conformational possibilities of DNA via calculation of nonbonded interactions of complementary dinucleoside phosphate complexes

DFT Study of B-like Conformations of Deoxydinucleoside Monophosphates Containing Gua and/or Cyt and their Complexes with Na super(+) Cation

The formation of mispairs by 8-oxyguanine as a pathway of mutations induced by irradiation and oxygen radicals

Atom-atom potential functions for simulation of DNA—counterion interaction in aqueous solution

Conformational implications of some nucleotide sequences

Simulation of intermolecular and intramolecular interactions of nucleic acid subunits by means of atom-atom potential functions

Comparative study of three systems of potential functions for simulation of nucleic acid hydration

Modeling DNA hydration: Comparison of calculated and experimental hydration properties of nucleic acid bases

Study of mechanisms of some caffeine biological effects via computer simulation of its interactions with DNA fragments

Conformations of DNA duplexes containing 8-oxoguanine

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