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Excited-state proton transfer based fluorescence in Kaempferol powder and solutions with different concentrations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2024-03, Vol.309, p.123814, Article 123814

2024

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Biologically important conformational features of DNA as interpreted by quantum mechanics and molecular mechanics computations of its simple fragments

Journal of molecular modeling, 2018-02, Vol.24 (2), p.46-12, Article 46

2018

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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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The Amazing DNA Macromolecule: Computer Modeling of its 3D Structure and the Diversity of Watson–Crick Conformations in the Duplex

Biophysics (Oxford), 2023-04, Vol.68 (2), p.223-233

2023

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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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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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Some Problems of Computer Simulation of Non-Bonded Interactions in DNA

Biophysics (Oxford), 2019-03, Vol.64 (2), p.170-181

2019

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Computational Study of the Contribution of Nucleoside Conformations to 3D Structure of DNA

Proceedings of Trends in Electronics and Health Informatics, p.373-383

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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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Computational Study of Absorption and Emission of Luteolin Molecule

Proceedings of Trends in Electronics and Health Informatics, p.385-392

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The possibilities of modern prophylaxis of acute pancreatitis after endoscopic retrograde cholangiopancreatography (ERCP)

Ėksperimental'nai͡a︡ i klinicheskai͡a︡ gastroėnterologii͡a, 2014 (11), p.57

2014

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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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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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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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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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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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Interactions of caffeine with DNA double helix fragments. Molecular mechanics simulation

Biofizika, 2005-09, Vol.50 (5), p.818

2005

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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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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 study of three-dimensional structure of caffeine associates using computational and experimental methods

Journal of molecular structure. Theochem, 2004-11, Vol.709 (1), p.123-128

2004

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Desarrollo de un campo de fuerzas de mecánica molecular para la interacción de Na+ con agua

Revista mexicana de física, 2006-02, Vol.52 (1), p.74-79

2006

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Molecular mechanics description of cytosine energy and geometry using preliminary ab initio results

Journal of molecular structure. Theochem, 2005-09, Vol.729 (1), p.59-64

2005

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Interaction of caffeine with basic nucleic acids my a molecular mechanic method

Biofizika, 2003-09, Vol.48 (5), p.814

2003

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Possible configuration of dimers of Gua-Cyt bases. Computation by molecular mechanic models and density functional theory

Biofizika, 2003-09, Vol.48 (5), p.821

2003

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Interactions between nucleic acid bases. New parameters of potential functions and energy minima

Biofizika, 2002-11, Vol.47 (6), p.996

2002

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Excited-state proton transfer based fluorescence in Kaempferol powder and solutions with different concentrations

Biologically important conformational features of DNA as interpreted by quantum mechanics and molecular mechanics computations of its simple fragments

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

The Amazing DNA Macromolecule: Computer Modeling of its 3D Structure and the Diversity of Watson–Crick Conformations in the Duplex

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

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

Some Problems of Computer Simulation of Non-Bonded Interactions in DNA

Computational Study of the Contribution of Nucleoside Conformations to 3D Structure of DNA

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

Computational Study of Absorption and Emission of Luteolin Molecule

The possibilities of modern prophylaxis of acute pancreatitis after endoscopic retrograde cholangiopancreatography (ERCP)

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

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

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

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

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

Interactions of caffeine with DNA double helix fragments. Molecular mechanics simulation

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

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

The study of three-dimensional structure of caffeine associates using computational and experimental methods

Desarrollo de un campo de fuerzas de mecánica molecular para la interacción de Na+ con agua

Molecular mechanics description of cytosine energy and geometry using preliminary ab initio results

Interaction of caffeine with basic nucleic acids my a molecular mechanic method

Possible configuration of dimers of Gua-Cyt bases. Computation by molecular mechanic models and density functional theory

Interactions between nucleic acid bases. New parameters of potential functions and energy minima

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