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Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study

Journal of biomolecular structure & dynamics, 2014-06, Vol.32 (6), p.993-1022

2014

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Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach

Physical chemistry chemical physics : PCCP, 2014-01, Vol.16 (5), p.2072-2084

2014

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Complete conformational space of the potential HIV-1 reverse transcriptase inhibitors d4U and d4C. A quantum chemical study

Physical chemistry chemical physics : PCCP, 2012-05, Vol.14 (19), p.6787-6795

2012

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Weak Supramolecular Interactions Governing Parallel and Antiparallel DNA Quadruplexes: Insights from Large‐Scale Quantum Mechanics Analysis of Experimentally Derived Models

Chemistry : a European journal, 2017-04, Vol.23 (23), p.5573-5584

2017

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The significant role of the intermolecular CH⋯O/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation

Journal of biomolecular structure & dynamics, 2015, Vol.33 (8), p.1624-1652

2015

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Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex-Active Ligands

Chemistry : a European journal, 2015-06, Vol.21 (26), p.9414-9425

2015

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Tailoring the properties of quadruplex nucleobases for biological and nanomaterial applications

Physical chemistry chemical physics : PCCP, 2014-08, Vol.16 (29), p.15241-15248

2014

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Substituting CF2 for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions

Chemistry : a European journal, 2015-12, Vol.21 (49), p.17933-17943

2015

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Frontispiece: Anion–π Interactions in Flavoproteins Involve a Substantial Charge‐Transfer Component

Chemistry : a European journal, 2017-03, Vol.23 (14), p.np-n/a

2017

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Nucleotides containing variously modified sugars: energetics, structure, and mechanical properties

Physical chemistry chemical physics : PCCP, 2016-01, Vol.18 (3), p.1615-1628

2016

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Intramolecular CH···O hydrogen bonds in the AI and BI DNA-like conformers of canonical nucleosides and their Watson-Crick pairs. Quantum chemical and AIM analysis

Journal of biomolecular structure & dynamics, 2011-08, Vol.29 (1), p.51-65

2011

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Nucleic Acid Quadruplexes Based on 8‑Halo-9-deazaxanthines: Energetics and Noncovalent Interactions in Quadruplex Stems

Journal of chemical theory and computation, 2014-12, Vol.10 (12), p.5353-5365

2014

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Tautomeric Equilibrium of Uracil and Thymine in Model Protein−Nucleic Acid Contacts. Spectroscopic and Quantum Chemical Approach

The journal of physical chemistry. B, 2010-01, Vol.114 (3), p.1454-1461

2010

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Can DNA-binding proteins of replisome tautomerize nucleotide bases? Ab initio model study

Journal of biomolecular structure & dynamics, 2012-01, Vol.29 (6), p.1101-1109

2012

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How Many Conformers Determine the Thymidine Low-Temperature Matrix Infrared Spectrum? DFT and MP2 Quantum Chemical Study

The journal of physical chemistry. B, 2007-08, Vol.111 (32), p.9655-9663

2007

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Structural and energetic properties of the potential HIV-1 reverse transcriptase inhibitors d4A and d4G: a comprehensive theoretical investigation

Journal of biomolecular structure & dynamics, 2014-05, Vol.32 (5), p.730-740

2014

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Comprehensive Conformational Analysis of the Nucleoside Analogue 2‘-β-Deoxy-6-azacytidine by DFT and MP2 Calculations

The journal of physical chemistry. B, 2007-06, Vol.111 (22), p.6263-6271

2007

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Ab Initio Comprehensive Conformational Analysis of 2‘-Deoxyuridine, the Biologically Significant DNA Minor Nucleoside, and Reconstruction of Its Low-Temperature Matrix Infrared Spectrum

The journal of physical chemistry. B, 2008-01, Vol.112 (4), p.1240-1250

2008

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Frontispiece: Anion-[pi] Interactions in Flavoproteins Involve a Substantial Charge-Transfer Component

Chemistry : a European journal, 2017-03, Vol.23 (14)

2017

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Substituting CF 2 for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions

Chemistry : a European journal, 2015-12, Vol.21 (49), p.17933-17943

2015

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Substituting CF sub(2) for O4' in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions

Chemistry : a European journal, 2015-12, Vol.21 (49), p.17933-17943

2015

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Nucleotides containing variously modified sugars: energetics, structure, and mechanical propertiesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05478h

2016-01

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Conformational Landscape of the Nucleoside Reverse Transcriptase Inhibitor d4T: a Comprehensive Quantum-Chemical Approach

Current physical chemistry, 2013-01, Vol.3 (1), p.83-92

2013

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Anion-[pi] Interactions in Flavoproteins Involve a Substantial Charge-Transfer Component

Chemistry : a European journal, 2017-03, Vol.23 (14), p.3246

2017

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Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approachElectronic supplementary information (ESI) available: Figures with spatial structures of two and three stacked tetrads as well as tables with the values of the van der Waals volumes and more detailed characteristics of individual non-covalent interactions. See DOI: 10.1039/c3cp53875c

2014-01

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Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study

Exploring non-covalent interactions in guanine- and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach

Complete conformational space of the potential HIV-1 reverse transcriptase inhibitors d4U and d4C. A quantum chemical study

Weak Supramolecular Interactions Governing Parallel and Antiparallel DNA Quadruplexes: Insights from Large‐Scale Quantum Mechanics Analysis of Experimentally Derived Models

The significant role of the intermolecular CH⋯O/N hydrogen bonds in governing the biologically important pairs of the DNA and RNA modified bases: a comprehensive theoretical investigation

Designing a New Class of Bases for Nucleic Acid Quadruplexes and Quadruplex-Active Ligands

Tailoring the properties of quadruplex nucleobases for biological and nanomaterial applications

Substituting CF2 for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions

Frontispiece: Anion–π Interactions in Flavoproteins Involve a Substantial Charge‐Transfer Component

Nucleotides containing variously modified sugars: energetics, structure, and mechanical properties

Intramolecular CH···O hydrogen bonds in the AI and BI DNA-like conformers of canonical nucleosides and their Watson-Crick pairs. Quantum chemical and AIM analysis

Nucleic Acid Quadruplexes Based on 8‑Halo-9-deazaxanthines: Energetics and Noncovalent Interactions in Quadruplex Stems

Tautomeric Equilibrium of Uracil and Thymine in Model Protein−Nucleic Acid Contacts. Spectroscopic and Quantum Chemical Approach

Can DNA-binding proteins of replisome tautomerize nucleotide bases? Ab initio model study

How Many Conformers Determine the Thymidine Low-Temperature Matrix Infrared Spectrum? DFT and MP2 Quantum Chemical Study

Structural and energetic properties of the potential HIV-1 reverse transcriptase inhibitors d4A and d4G: a comprehensive theoretical investigation

Comprehensive Conformational Analysis of the Nucleoside Analogue 2‘-β-Deoxy-6-azacytidine by DFT and MP2 Calculations

Ab Initio Comprehensive Conformational Analysis of 2‘-Deoxyuridine, the Biologically Significant DNA Minor Nucleoside, and Reconstruction of Its Low-Temperature Matrix Infrared Spectrum

Frontispiece: Anion-[pi] Interactions in Flavoproteins Involve a Substantial Charge-Transfer Component

Substituting CF 2 for O4′ in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions

Substituting CF sub(2) for O4' in Components of Nucleic Acids: Towards Systems with Reduced Propensity to Form Abasic Lesions

Nucleotides containing variously modified sugars: energetics, structure, and mechanical propertiesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05478h

Conformational Landscape of the Nucleoside Reverse Transcriptase Inhibitor d4T: a Comprehensive Quantum-Chemical Approach

Anion-[pi] Interactions in Flavoproteins Involve a Substantial Charge-Transfer Component

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