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Geometrical and Electronic Structure Variability of the Sugar−phosphate Backbone in Nucleic Acids

The journal of physical chemistry. B, 2008-07, Vol.112 (27), p.8188-8197

2008

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High-energy chemistry of formamide: A unified mechanism of nucleobase formation

Proceedings of the National Academy of Sciences - PNAS, 2015-01, Vol.112 (3), p.657-662

2015

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Comparison of Intrinsic Stacking Energies of Ten Unique Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by Quantum-Chemical Calculations?

The journal of physical chemistry. B, 2010-01, Vol.114 (2), p.1191-1203

2010

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Complexity of Guanine Quadruplex Unfolding Pathways Revealed by Atomistic Pulling Simulations

Journal of chemical information and modeling, 2023-08, Vol.63 (15), p.4716-4731

2023

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Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experiment

Biopolymers, 2013-12, Vol.99 (12), p.978-988

2013

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Conformational Heterogeneity of RNA Stem-Loop Hairpins Bound to FUS-RNA Recognition Motif with Disordered RGG Tail Revealed by Unbiased Molecular Dynamics Simulations

The journal of physical chemistry. B, 2022-11, Vol.126 (45), p.9207-9221

2022

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Emergence of the First Catalytic Oligonucleotides in a Formamide-Based Origin Scenario

Chemistry : a European journal, 2016-03, Vol.22 (11), p.3572-3586

2016

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2,6-diaminopurine promotes repair of DNA lesions under prebiotic conditions

Nature communications, 2021-05, Vol.12 (1), p.3018-3018, Article 3018

2021

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Mechanical Stability and Unfolding Pathways of Parallel Tetrameric G‑Quadruplexes Probed by Pulling Simulations

Journal of chemical information and modeling, 2024-05, Vol.64 (9), p.3896-3911

2024

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Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM

Proceedings of the National Academy of Sciences - PNAS, 2019-02, Vol.116 (8), p.2935-2944

2019

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On the Road from Formamide Ices to Nucleobases: IR-Spectroscopic Observation of a Direct Reaction between Cyano Radicals and Formamide in a High-Energy Impact Event

Journal of the American Chemical Society, 2012-12, Vol.134 (51), p.20788-20796

2012

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Acid‐Catalyzed RNA‐Oligomerization from 3’,5’‐cGMP

Chemistry : a European journal, 2021-12, Vol.27 (70), p.17581-17585

2021

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Sensitivity of the RNA Structure to Ion Conditions as Probed by Molecular Dynamics Simulations of Common Canonical RNA Duplexes

Journal of chemical information and modeling, 2023-04, Vol.63 (7), p.2133-2146

2023

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Stereocontrolled Synthesis of (−)-Bactobolin A

Journal of the American Chemical Society, 2020-04, Vol.142 (16), p.7306-7311

2020

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Multiscale Modeling of Phosphate···π Contacts in RNA U‑Turns Exposes Differences between Quantum-Chemical and AMBER Force Field Descriptions

Journal of chemical information and modeling, 2022-12, Vol.62 (23), p.6182-6200

2022

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Correction to “Sensitivity of the RNA Structure to Ion Conditions as Probed by Molecular Dynamics Simulations of Common Canonical RNA Duplexes”

Journal of chemical information and modeling, 2024-07, Vol.64 (13), p.5356-5356

2024

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Quantum Chemical Studies of Nucleic Acids: Can We Construct a Bridge to the RNA Structural Biology and Bioinformatics Communities?

The journal of physical chemistry. B, 2010-12, Vol.114 (48), p.15723-15741

2010

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Parallel G-triplexes and G-hairpins as potential transitory ensembles in the folding of parallel-stranded DNA G-Quadruplexes

Nucleic acids research, 2019-08, Vol.47 (14), p.7276-7293

2019

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The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly

Nature communications, 2022-06, Vol.13 (1), p.3112-3112, Article 3112

2022

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Formic Acid, a Ubiquitous but Overlooked Component of the Early Earth Atmosphere

Chemistry : a European journal, 2020-09, Vol.26 (52), p.12075-12080

2020

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Triplex intermediates in folding of human telomeric quadruplexes probed by microsecond-scale molecular dynamics simulations

Biochimie, 2014-10, Vol.105, p.22-35

2014

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Non-Enzymatic Oligomerization of 3', 5' Cyclic AMP

PloS one, 2016-11, Vol.11 (11), p.e0165723-e0165723

2016

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A prebiotically plausible synthesis of pyrimidine β-ribonucleosides and their phosphate derivatives involving photoanomerization

Nature chemistry, 2017-04, Vol.9 (4), p.303-309

2017

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Comparative Assessment of Different RNA Tetranucleotides from the DFT-D3 and Force Field Perspective

The journal of physical chemistry. B, 2016-10, Vol.120 (41), p.10635-10648

2016

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Short-Range Imbalances in the AMBER Lennard-Jones Potential for (Deoxy)Ribose···Nucleobase Lone-Pair···π Contacts in Nucleic Acids

Journal of chemical information and modeling, 2021-11, Vol.61 (11), p.5644-5657

2021

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Geometrical and Electronic Structure Variability of the Sugar−phosphate Backbone in Nucleic Acids

High-energy chemistry of formamide: A unified mechanism of nucleobase formation

Comparison of Intrinsic Stacking Energies of Ten Unique Dinucleotide Steps in A-RNA and B-DNA Duplexes. Can We Determine Correct Order of Stability by Quantum-Chemical Calculations?

Complexity of Guanine Quadruplex Unfolding Pathways Revealed by Atomistic Pulling Simulations

Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experiment

Conformational Heterogeneity of RNA Stem-Loop Hairpins Bound to FUS-RNA Recognition Motif with Disordered RGG Tail Revealed by Unbiased Molecular Dynamics Simulations

Emergence of the First Catalytic Oligonucleotides in a Formamide-Based Origin Scenario

2,6-diaminopurine promotes repair of DNA lesions under prebiotic conditions

Mechanical Stability and Unfolding Pathways of Parallel Tetrameric G‑Quadruplexes Probed by Pulling Simulations

Molecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRM

On the Road from Formamide Ices to Nucleobases: IR-Spectroscopic Observation of a Direct Reaction between Cyano Radicals and Formamide in a High-Energy Impact Event

Acid‐Catalyzed RNA‐Oligomerization from 3’,5’‐cGMP

Sensitivity of the RNA Structure to Ion Conditions as Probed by Molecular Dynamics Simulations of Common Canonical RNA Duplexes

Stereocontrolled Synthesis of (−)-Bactobolin A

Multiscale Modeling of Phosphate···π Contacts in RNA U‑Turns Exposes Differences between Quantum-Chemical and AMBER Force Field Descriptions

Correction to “Sensitivity of the RNA Structure to Ion Conditions as Probed by Molecular Dynamics Simulations of Common Canonical RNA Duplexes”

Quantum Chemical Studies of Nucleic Acids: Can We Construct a Bridge to the RNA Structural Biology and Bioinformatics Communities?

Parallel G-triplexes and G-hairpins as potential transitory ensembles in the folding of parallel-stranded DNA G-Quadruplexes

The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly

Formic Acid, a Ubiquitous but Overlooked Component of the Early Earth Atmosphere

Triplex intermediates in folding of human telomeric quadruplexes probed by microsecond-scale molecular dynamics simulations

Non-Enzymatic Oligomerization of 3', 5' Cyclic AMP

A prebiotically plausible synthesis of pyrimidine β-ribonucleosides and their phosphate derivatives involving photoanomerization

Comparative Assessment of Different RNA Tetranucleotides from the DFT-D3 and Force Field Perspective

Short-Range Imbalances in the AMBER Lennard-Jones Potential for (Deoxy)Ribose···Nucleobase Lone-Pair···π Contacts in Nucleic Acids

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