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Robust AMBER Force Field Parameters for Glutathionylated Cysteines

International journal of molecular sciences, 2023-10, Vol.24 (19), p.15022

2023

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Cysteine hyperoxidation rewires communication pathways in the nucleosome and destabilizes the dyad

Computational and structural biotechnology journal, 2024-12, Vol.23, p.1387-1396

2024

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DNA damage and repair in the nucleosome: insights from computational methods

Biophysical reviews, 2024-06, Vol.16 (3), p.345-356

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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Binding to nucleosome poises human SIRT6 for histone H3 deacetylation

eLife, 2024-02, Vol.12

2024

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Smell and taste changes are early indicators of the COVID-19 pandemic and political decision effectiveness

Nature communications, 2020-10, Vol.11 (1), p.5152-8, Article 5152

2020

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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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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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Use of Computational Biochemistry for Elucidating Molecular Mechanisms of Nitric Oxide Synthase

Computational and structural biotechnology journal, 2019-01, Vol.17, p.415-429

2019

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Computational Structural Biology of S -nitrosylation of Cancer Targets

Frontiers in oncology, 2018-08, Vol.8, p.272-272

2018

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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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Nurses’ internal contamination by antineoplastic drugs in hospital centers: a cross-sectional descriptive study

International archives of occupational and environmental health, 2021-11, Vol.94 (8), p.1839-1850

2021

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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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Singlet Oxygen Attack on Guanine: Reactivity and Structural Signature within the B-DNA Helix

Chemistry : a European journal, 2016-08, Vol.22 (35), p.12358-12362

2016

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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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Intra-database validation of case-identifying algorithms using reconstituted electronic health records from healthcare claims data

BMC medical research methodology, 2021-05, Vol.21 (1), p.95-95, Article 95

2021

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Recognition of a tandem lesion by DNA bacterial formamidopyrimidine glycosylases explored combining molecular dynamics and machine learning

Computational and structural biotechnology journal, 2021-01, Vol.19, p.2861-2869

2021

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The Iron Maiden. Cytosolic Aconitase/IRP1 Conformational Transition in the Regulation of Ferritin Translation and Iron Hemostasis

Biomolecules (Basel, Switzerland), 2021-09, Vol.11 (9), p.1329

2021

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Molecular Basis of the pH-Controlled Maturation of the Tick-Borne Encephalitis Flavivirus

The journal of physical chemistry letters, 2023-02, Vol.14 (7), p.1977-1982

2023

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Hijacking of Cellular Functions by Severe Acute Respiratory Syndrome Coronavirus-2. Permeabilization and Polarization of the Host Lipid Membrane by Viroporins

The journal of physical chemistry letters, 2022-06, Vol.13 (21), p.4642-4649

2022

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Contribution de l’anthropologie sensorielle à l’étude du COVID-19

Bulletins et mémoires de la Société d'anthropologie de Paris, 2021-03, Vol.33 (S)

2021

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Structure of the 5' untranslated region in SARS-CoV-2 genome and its specific recognition by innate immune system via the human oligoadenylate synthase 1

Chemical communications (Cambridge, England), 2022-02, Vol.58 (13), p.2176-2179

2022

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Autophagy and evasion of the immune system by SARS-CoV-2. Structural features of the non-structural protein 6 from wild type and Omicron viral strains interacting with a model lipid bilayer

Chemical science (Cambridge), 2022-05, Vol.13 (2), p.698-615

2022

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A Dynamic View of the Interaction of Histone Tails with Clustered Abasic Sites in a Nucleosome Core Particle

The journal of physical chemistry letters, 2021-07, Vol.12 (25), p.6014-6019

2021

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Exploring Dihydroflavonol‐4‐Reductase Reactivity and Selectivity by QM/MM‐MD Simulations

Chembiochem : a European journal of chemical biology, 2022-02, Vol.23 (3), p.e202100553-n/a

2022

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Robust AMBER Force Field Parameters for Glutathionylated Cysteines

Cysteine hyperoxidation rewires communication pathways in the nucleosome and destabilizes the dyad

DNA damage and repair in the nucleosome: insights from computational methods

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

Binding to nucleosome poises human SIRT6 for histone H3 deacetylation

Smell and taste changes are early indicators of the COVID-19 pandemic and political decision effectiveness

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

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

Use of Computational Biochemistry for Elucidating Molecular Mechanisms of Nitric Oxide Synthase

Computational Structural Biology of S -nitrosylation of Cancer Targets

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

Nurses’ internal contamination by antineoplastic drugs in hospital centers: a cross-sectional descriptive study

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

Singlet Oxygen Attack on Guanine: Reactivity and Structural Signature within the B-DNA Helix

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

Intra-database validation of case-identifying algorithms using reconstituted electronic health records from healthcare claims data

Recognition of a tandem lesion by DNA bacterial formamidopyrimidine glycosylases explored combining molecular dynamics and machine learning

The Iron Maiden. Cytosolic Aconitase/IRP1 Conformational Transition in the Regulation of Ferritin Translation and Iron Hemostasis

Molecular Basis of the pH-Controlled Maturation of the Tick-Borne Encephalitis Flavivirus

Hijacking of Cellular Functions by Severe Acute Respiratory Syndrome Coronavirus-2. Permeabilization and Polarization of the Host Lipid Membrane by Viroporins

Contribution de l’anthropologie sensorielle à l’étude du COVID-19

Structure of the 5' untranslated region in SARS-CoV-2 genome and its specific recognition by innate immune system via the human oligoadenylate synthase 1

Autophagy and evasion of the immune system by SARS-CoV-2. Structural features of the non-structural protein 6 from wild type and Omicron viral strains interacting with a model lipid bilayer

A Dynamic View of the Interaction of Histone Tails with Clustered Abasic Sites in a Nucleosome Core Particle

Exploring Dihydroflavonol‐4‐Reductase Reactivity and Selectivity by QM/MM‐MD Simulations

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