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Machine-learning methods for ligand–protein molecular docking

Drug discovery today, 2022-01, Vol.27 (1), p.151-164

2022

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How molecular modelling can better broaden the understanding of glycosylations

Current opinion in structural biology, 2022-08, Vol.75, p.102393-102393, Article 102393

2022

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Effects of changes in glycan composition on glycoprotein dynamics: example of N-glycans on insulin receptor

Glycobiology (Oxford), 2021-09, Vol.31 (9), p.1121-1133

2021

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Differential MMP-14 targeting by biglycan, decorin, fibromodulin, and lumican unraveled by in silico approach

American Journal of Physiology: Cell Physiology, 2023-02, Vol.324 (2), p.C353-C365

2023

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Highlighting the hygroscopic capacities of apiogalacturonans

Journal of molecular graphics & modelling, 2023-09, Vol.123, p.108527-108527, Article 108527

2023

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Proline and Glycine Control Protein Self-Organization into Elastomeric or Amyloid Fibrils

Structure (London), 2006-11, Vol.14 (11), p.1667-1676

2006

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Proteoglycan Chemical Diversity Drives Multifunctional Cell Regulation and Therapeutics

Chemical reviews, 2018-09, Vol.118 (18), p.9152-9232

2018

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Umbrella Visualization: A method of analysis dedicated to glycan flexibility with UnityMol

Methods (San Diego, Calif.), 2020-02, Vol.173, p.94-104

2020

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Tuning self-assembly in elastin-derived peptides

Soft matter, 2015-05, Vol.11 (17), p.3385-3395

2015

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In Silico Structural Modeling and Analysis of Physicochemical Properties of Antitumoral QS‐13 Peptide and Its Derivatives in Water and Dimethyl Sulfoxide

Peptide science (Hoboken, N.J.), 2024-09, Vol.116 (5), p.n/a

2024

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Molecular mechanism of β-sheet self-organization at water-hydrophobic interfaces

Proteins, structure, function, and bioinformatics, 2011-01, Vol.79 (1), p.1-22

2011

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Amyloidogenesis of proteolytic fragments of human elastin

RSC advances, 2013-01, Vol.3 (32), p.13273

2013

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Structural impact of a new spike Y170W mutation detected in early emerging SARS-CoV-2 Omicron variants in France

Virus research, 2024-05, Vol.343, p.199354, Article 199354

2024

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Inverse docking method for new proteins targets identification: A parallel approach

Parallel computing, 2015-02, Vol.42, p.48-59

2015

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Small leucine-rich proteoglycans and matrix metalloproteinase-14: Key partners?

Matrix biology, 2019-01, Vol.75-76, p.271-285

2019

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Structural and physical basis for the elasticity of elastin

Quarterly reviews of biophysics, 2024-03, Vol.57, p.e3, Article e3

2024

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Elastin-Derived Peptides Are New Regulators of Insulin Resistance Development in Mice

Diabetes (New York, N.Y.), 2013-11, Vol.62 (11), p.3807-3816

2013

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SGPocket: A New Graph Convolutional Neural Network for Ligand-protein Binding Site Prediction

Current medicinal chemistry, 2024-03, Vol.31

2024

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AMIDE v2: High-Throughput Screening Based on AutoDock-GPU and Improved Workflow Leading to Better Performance and Reliability

International journal of molecular sciences, 2021-07, Vol.22 (14), p.7489

2021

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Molecular mechanism of [beta]-sheet self-organization at water-hydrophobic interfaces

Proteins, structure, function, and bioinformatics, 2011-01, Vol.79 (1), p.1-22

2011

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Early Alterations of Intra-Mural Elastic Lamellae Revealed by Synchrotron X-ray Micro-CT Exploration of Diabetic Aortas

International journal of molecular sciences, 2022-03, Vol.23 (6), p.3250

2022

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Impact of sialic acids on the molecular dynamic of bi-antennary and tri-antennary glycans

Scientific reports, 2016-10, Vol.6 (1), p.35666-35666, Article 35666

2016

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Sialic acids cleavage induced by elastin-derived peptides impairs the interaction between insulin and its receptor in adipocytes 3T3-L1

Journal of physiology and biochemistry, 2024-05, Vol.80 (2), p.363-379

2024

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Anti-Toxoplasma gondii effect of lupane-type triterpenes from the bark of black alder (Alnus glutinosa) and identification of a potential target by reverse docking

Parasite (Paris), 2022, Vol.29, p.7-7

2022

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Conformation-dependent binding of a Tetrastatin peptide to αvβ3 integrin decreases melanoma progression through FAK/PI3K/Akt pathway inhibition

Scientific reports, 2018-06, Vol.8 (1), p.1-13, Article 9837

2018

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Machine-learning methods for ligand–protein molecular docking

How molecular modelling can better broaden the understanding of glycosylations

Effects of changes in glycan composition on glycoprotein dynamics: example of N-glycans on insulin receptor

Differential MMP-14 targeting by biglycan, decorin, fibromodulin, and lumican unraveled by in silico approach

Highlighting the hygroscopic capacities of apiogalacturonans

Proline and Glycine Control Protein Self-Organization into Elastomeric or Amyloid Fibrils

Proteoglycan Chemical Diversity Drives Multifunctional Cell Regulation and Therapeutics

Umbrella Visualization: A method of analysis dedicated to glycan flexibility with UnityMol

Tuning self-assembly in elastin-derived peptides

In Silico Structural Modeling and Analysis of Physicochemical Properties of Antitumoral QS‐13 Peptide and Its Derivatives in Water and Dimethyl Sulfoxide

Molecular mechanism of β-sheet self-organization at water-hydrophobic interfaces

Amyloidogenesis of proteolytic fragments of human elastin

Structural impact of a new spike Y170W mutation detected in early emerging SARS-CoV-2 Omicron variants in France

Inverse docking method for new proteins targets identification: A parallel approach

Small leucine-rich proteoglycans and matrix metalloproteinase-14: Key partners?

Structural and physical basis for the elasticity of elastin

Elastin-Derived Peptides Are New Regulators of Insulin Resistance Development in Mice

SGPocket: A New Graph Convolutional Neural Network for Ligand-protein Binding Site Prediction

AMIDE v2: High-Throughput Screening Based on AutoDock-GPU and Improved Workflow Leading to Better Performance and Reliability

Molecular mechanism of [beta]-sheet self-organization at water-hydrophobic interfaces

Early Alterations of Intra-Mural Elastic Lamellae Revealed by Synchrotron X-ray Micro-CT Exploration of Diabetic Aortas

Impact of sialic acids on the molecular dynamic of bi-antennary and tri-antennary glycans

Sialic acids cleavage induced by elastin-derived peptides impairs the interaction between insulin and its receptor in adipocytes 3T3-L1

Anti-Toxoplasma gondii effect of lupane-type triterpenes from the bark of black alder (Alnus glutinosa) and identification of a potential target by reverse docking

Conformation-dependent binding of a Tetrastatin peptide to αvβ3 integrin decreases melanoma progression through FAK/PI3K/Akt pathway inhibition

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