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Toward a Quantitative Assessment of Electronic Transitions’ Charge-Transfer Character

Journal of chemical theory and computation, 2014-09, Vol.10 (9), p.3896-3905

2014

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Staring at the Naked Goddess: Unraveling the Structure and Reactivity of Artemis Endonuclease Interacting with a DNA Double Strand

Molecules (Basel, Switzerland), 2021-07, Vol.26 (13), p.3986

2021

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A Portrait of the Chromophore as a Young System-Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives

Molecules (Basel, Switzerland), 2024-04, Vol.29 (8), p.1752

2024

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Molecular Mechanisms Associated with Clustered Lesion-Induced Impairment of 8-oxoG Recognition by the Human Glycosylase OGG1

Molecules (Basel, Switzerland), 2021-10, Vol.26 (21), p.6465

2021

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Molecular Bases and Specificity behind the Activation of the Immune System OAS/RNAse L Pathway by Viral RNA

Viruses, 2024-08, Vol.16 (8), p.1246

2024

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Revealing the Molecular Interactions between Human ACE2 and the Receptor Binding Domain of the SARS-CoV-2 Wild-Type, Alpha and Delta Variants

International journal of molecular sciences, 2023-02, Vol.24 (3), p.2517

2023

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Cooperative Effects of Cytosine Methylation on DNA Structure and Dynamics

The journal of physical chemistry. B, 2019-08, Vol.123 (34), p.7365-7371

2019

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Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex

Molecules (Basel, Switzerland), 2020-07, Vol.25 (13), p.3084

2020

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Design and synthesis of a new bifunctional chelating agent: Application for Al 18F/177Lu complexation

Journal of inorganic biochemistry, 2023-09, Vol.246, p.112267-112267, Article 112267

2023

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Specific Recognition of the 5′-Untranslated Region of West Nile Virus Genome by Human Innate Immune System

Viruses, 2022-06, Vol.14 (6), p.1282

2022

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Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties

Molecules (Basel, Switzerland), 2020-12, Vol.25 (24), p.5991

2020

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Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (37), p.25662-25670

2017

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E/Z Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families

Molecules (Basel, Switzerland), 2021-12, Vol.26 (23), p.7379

2021

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Stability of the Guanine Endoperoxide Intermediate: A Computational Challenge for Density Functional Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-12, Vol.118 (49), p.11612-11619

2014

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Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory

Chemistry : a European journal, 2014-09, Vol.20 (40), p.12901-12909

2014

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Never Cared for What They Do: High Structural Stability of Guanine-Quadruplexes in the Presence of Strand-Break Damage

Molecules (Basel, Switzerland), 2022-05, Vol.27 (10), p.3256

2022

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Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects

Theoretical chemistry accounts, 2016-03, Vol.135 (3), Article 57

2016

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Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems

Frontiers in chemistry, 2018-10, Vol.6, p.495-495

2018

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Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process

Scientific reports, 2017-08, Vol.7 (1), p.8885-10, Article 8885

2017

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Modeling the Enzymatic Mechanism of the SARS-CoV‑2 RNA-Dependent RNA Polymerase by DFT/MM-MD: An Unusual Active Site Leading to High Replication Rates

Journal of chemical information and modeling, 2022-09, Vol.62 (17), p.4261-4269

2022

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Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization

Physical chemistry chemical physics : PCCP, 2016-03, Vol.18 (11), p.7829-7836

2016

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NHC-Based Iron Sensitizers for DSSCs

Inorganics, 2018-06, Vol.6 (2), p.63

2018

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Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA

Molecules (Basel, Switzerland), 2018-01, Vol.23 (2), p.228

2018

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Environmentally sensitive fluorescence of the topical retinoid adapalene

Frontiers in chemistry, 2024-07, Vol.12, p.1438751

2024

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Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules

Frontiers in chemistry, 2018-04, Vol.6, p.86

2018

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Toward a Quantitative Assessment of Electronic Transitions’ Charge-Transfer Character

Staring at the Naked Goddess: Unraveling the Structure and Reactivity of Artemis Endonuclease Interacting with a DNA Double Strand

A Portrait of the Chromophore as a Young System-Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives

Molecular Mechanisms Associated with Clustered Lesion-Induced Impairment of 8-oxoG Recognition by the Human Glycosylase OGG1

Molecular Bases and Specificity behind the Activation of the Immune System OAS/RNAse L Pathway by Viral RNA

Revealing the Molecular Interactions between Human ACE2 and the Receptor Binding Domain of the SARS-CoV-2 Wild-Type, Alpha and Delta Variants

Cooperative Effects of Cytosine Methylation on DNA Structure and Dynamics

Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex

Design and synthesis of a new bifunctional chelating agent: Application for Al 18F/177Lu complexation

Specific Recognition of the 5′-Untranslated Region of West Nile Virus Genome by Human Innate Immune System

Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties

Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing

E/Z Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families

Stability of the Guanine Endoperoxide Intermediate: A Computational Challenge for Density Functional Theory

Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory

Never Cared for What They Do: High Structural Stability of Guanine-Quadruplexes in the Presence of Strand-Break Damage

Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects

Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems

Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process

Modeling the Enzymatic Mechanism of the SARS-CoV‑2 RNA-Dependent RNA Polymerase by DFT/MM-MD: An Unusual Active Site Leading to High Replication Rates

Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization

NHC-Based Iron Sensitizers for DSSCs

Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA

Environmentally sensitive fluorescence of the topical retinoid adapalene

Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules

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