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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 Conformational Features of Watson-Crick Duplex Fragments by Molecular Mechanics and Quantum Mechanics Methods

Biofizika, 2016-03, Vol.61 (2), p.259

2016

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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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A Study of the Hydration of Deoxydinucleoside Monophosphates Containing Thymine, Uracil and Its 5-Halogen Derivatives: Monte Carlo Simulation

Journal of biomolecular structure & dynamics, 1999-04, Vol.16 (5), p.1107-1117

1999

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Dependence of the hydration shell structure in the minor groove of the DNA double helix on the groove width as revealed by Monte Carlo simulation

Biopolymers, 1991-10, Vol.31 (12), p.1445-1453

1991

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Hydration of Nucleic Acid Bases Studied Using Novel Atom-Atom Potential Functions

Journal of biomolecular structure & dynamics, 1984-10, Vol.2 (2), p.413-429

1984

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Conformations of DNA Duplexes Containing 8-Oxoguanine

Journal of biomolecular structure & dynamics, 1993-10, Vol.11 (2), p.293-301

1993

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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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Alteration of the DNA double helix conformation upon incorporation of mispairs as revealed by energy computations and pathways of point mutations

Nucleic acids research, 1985-01, Vol.13 (1), p.141-154

1985

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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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Simulation of Interactions between Nucleic Acid Bases by Refined Atom-Atom Potential Functions

Journal of biomolecular structure & dynamics, 1986-02, Vol.3 (4), p.739-765

1986

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A Monte Carlo Simulation of Hydration of Xanthine-Derivatives and Their Stacked Forms

Journal of biomolecular structure & dynamics, 1992-06, Vol.9 (6), p.1239-1252

1992

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Monte Carlo Simulation of Hydration of the Nucleic Acid Fragments

Journal of biomolecular structure & dynamics, 1989-08, Vol.7 (1), p.75-99

1989

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The Role of Structural Water in the Formation of Nucleotide Mispairs

Journal of biomolecular structure & dynamics, 1987-10, Vol.5 (2), p.307-312

1987

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Modeling DNA Hydration: Comparison of Calculated and Experimental Hydration Properties of Nuclic Acid Bases

Journal of biomolecular structure & dynamics, 1996-02, Vol.13 (4), p.717-725

1996

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Experimental and Theoretical Study of Energetics of Complex Formation Between Nucleic Acid Bases and the Bases with Amide Group

Journal of biomolecular structure & dynamics, 1991-08, Vol.9 (1), p.101-111

1991

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

Biofizika, 2013-09, Vol.58 (5), p.748

2013

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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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Sequence-Dependent Binding of Metal Ion to DNA Oligomeres. A Comparison of Molecular Electrostatic Potentials with NMR Data

Journal of biomolecular structure & dynamics, 1998-12, Vol.16 (3), p.631-637

1998

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Monte Carlo Simulation of DNA Fragment Hydration in the Presence of Alkaline Cations Using Novel Atom-Atom Potential Functions

Journal of biomolecular structure & dynamics, 1998-10, Vol.16 (2), p.289-300

1998

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Conformations of double-helical nucleic acids

Nature (London), 1976-12, Vol.264 (5585), p.483-484

1976

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The Study of the Stability of Watson-Crick Nucleic Acid Base Pairs in Water and Dimethyl Sulfoxide: Computer Simulation by the Monte Carlo Method

Journal of biomolecular structure & dynamics, 1997-08, Vol.15 (1), p.69-80

1997

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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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The Study of Possible A and B Conformations of Alternating DNA Using a New Program for Conformational Analysis of Duplexes (CONAN)

Journal of biomolecular structure & dynamics, 1997-02, Vol.14 (4), p.459-474

1997

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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 Conformational Features of Watson-Crick Duplex Fragments by Molecular Mechanics and Quantum Mechanics Methods

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

A Study of the Hydration of Deoxydinucleoside Monophosphates Containing Thymine, Uracil and Its 5-Halogen Derivatives: Monte Carlo Simulation

Dependence of the hydration shell structure in the minor groove of the DNA double helix on the groove width as revealed by Monte Carlo simulation

Hydration of Nucleic Acid Bases Studied Using Novel Atom-Atom Potential Functions

Conformations of DNA Duplexes Containing 8-Oxoguanine

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

Alteration of the DNA double helix conformation upon incorporation of mispairs as revealed by energy computations and pathways of point mutations

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

Simulation of Interactions between Nucleic Acid Bases by Refined Atom-Atom Potential Functions

A Monte Carlo Simulation of Hydration of Xanthine-Derivatives and Their Stacked Forms

Monte Carlo Simulation of Hydration of the Nucleic Acid Fragments

The Role of Structural Water in the Formation of Nucleotide Mispairs

Modeling DNA Hydration: Comparison of Calculated and Experimental Hydration Properties of Nuclic Acid Bases

Experimental and Theoretical Study of Energetics of Complex Formation Between Nucleic Acid Bases and the Bases with Amide Group

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

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

Sequence-Dependent Binding of Metal Ion to DNA Oligomeres. A Comparison of Molecular Electrostatic Potentials with NMR Data

Monte Carlo Simulation of DNA Fragment Hydration in the Presence of Alkaline Cations Using Novel Atom-Atom Potential Functions

Conformations of double-helical nucleic acids

The Study of the Stability of Watson-Crick Nucleic Acid Base Pairs in Water and Dimethyl Sulfoxide: Computer Simulation by the Monte Carlo Method

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

The Study of Possible A and B Conformations of Alternating DNA Using a New Program for Conformational Analysis of Duplexes (CONAN)

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