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Oxidation of SQSTM1/p62 mediates the link between redox state and protein homeostasis

Nature communications, 2018-01, Vol.9 (1), p.256-11, Article 256

2018

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A proton relay enhances H2O2 sensitivity of GAPDH to facilitate metabolic adaptation

Nature chemical biology, 2015-02, Vol.11 (2), p.156

2015

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Plugging the explicit σ-holes in molecular docking

Chemical communications (Cambridge, England), 2013-02, Vol.49 (10), p.981-983

2013

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Inflammageing in the cardiovascular system: mechanisms, emerging targets, and novel therapeutic strategies

Clinical science (1979), 2020-09, Vol.134 (17), p.2243

2020

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Molecular basis for the distinct functions of redox-active and FeS-transfering glutaredoxins

Nature communications, 2020-07, Vol.11 (1), p.3445-3445, Article 3445

2020

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Cosolvent Analysis Toolkit (CAT): a robust hotspot identification platform for cosolvent simulations of proteins to expand the druggable proteome

Scientific reports, 2019-12, Vol.9 (1), p.19118-14, Article 19118

2019

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Force-Sensitive Autoinhibition of the von Willebrand Factor Is Mediated by Interdomain Interactions

Biophysical journal, 2015-05, Vol.108 (9), p.2312-2321

2015

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Mechanism of Focal Adhesion Kinase Mechanosensing

PLoS computational biology, 2015-11, Vol.11 (11), p.e1004593-e1004593

2015

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NDP52 acts as a redox sensor in PINK1/Parkin‐mediated mitophagy

The EMBO journal, 2023-03, Vol.42 (5), p.e111372-n/a

2023

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Structure, Dynamics, and Ligand Recognition of Human-Specific CHRFAM7A (Dupα7) Nicotinic Receptor Linked to Neuropsychiatric Disorders

International journal of molecular sciences, 2021-05, Vol.22 (11), p.5466

2021

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Mechanistic Investigation of the Androgen Receptor DNA-Binding Domain and Modulation via Direct Interactions with DNA Abasic Sites: Understanding the Mechanisms Involved in Castration-Resistant Prostate Cancer

International journal of molecular sciences, 2023-01, Vol.24 (2), p.1270

2023

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QSAR Implementation for HIC Retention Time Prediction of mAbs Using Fab Structure: A Comparison between Structural Representations

International journal of molecular sciences, 2020-10, Vol.21 (21), p.8037

2020

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Controlling the Heterodimerisation of the Phytosulfokine Receptor 1 (PSKR1) via Island Loop Modulation

International journal of molecular sciences, 2021-02, Vol.22 (4), p.1806

2021

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Development of Charge-Augmented Three-Point Water Model (CAIPi3P) for Accurate Simulations of Intrinsically Disordered Proteins

International journal of molecular sciences, 2020-08, Vol.21 (17), p.6166

2020

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Phosphatidylinositol 4,5-bisphosphate triggers activation of focal adhesion kinase by inducing clustering and conformational changes

Proceedings of the National Academy of Sciences - PNAS, 2014-08, Vol.111 (31), p.E3177-E3186

2014

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The aldehyde dehydrogenase AldA contributes to the hypochlorite defense and is redox-controlled by protein S-bacillithiolation in Staphylococcus aureus

Redox biology, 2018-05, Vol.15 (C), p.557-568

2018

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Allosteric Regulation of Focal Adhesion Kinase by PIP2 and ATP

Biophysical journal, 2015-02, Vol.108 (3), p.698-705

2015

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The case for complement component 5 as a target in neurodegenerative disease

Expert opinion on therapeutic targets, 2023-02, Vol.27 (2), p.97-109

2023

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New Benchmark in DNA-Based Asymmetric Catalysis: Prevalence of Modified DNA/RNA Hybrid Systems

JACS Au, 2022-08, Vol.2 (8), p.1910-1917

2022

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A Reliable Docking/Scoring Scheme Based on the Semiempirical Quantum Mechanical PM6-DH2 Method Accurately Covering Dispersion and H-Bonding: HIV-1 Protease with 22 Ligands

The journal of physical chemistry. B, 2010-10, Vol.114 (39), p.12666-12678

2010

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Drug profiling: knowing where it hits

Drug discovery today, 2010-09, Vol.15 (17), p.749-756

2010

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Duplex Healing of Selectively Thiolated Guanosine Mismatches through a Cd2+ Chemical Stimulus

Chembiochem : a European journal of chemical biology, 2018-06, Vol.19 (11), p.1115-1118

2018

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Druggability assessment of mammalian Per-Arnt-Sim [PAS] domains using computational approaches

MedChemComm, 2019-07, Vol.1 (7), p.1126-1137

2019

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Base-Catalyzed Peptide Hydrolysis Is Insensitive to Mechanical Stress

The journal of physical chemistry. B, 2011-08, Vol.115 (33), p.10126-10132

2011

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Oxidation of SQSTM1/p62 mediates the link between redox state and protein homeostasis

A proton relay enhances H2O2 sensitivity of GAPDH to facilitate metabolic adaptation

Plugging the explicit σ-holes in molecular docking

Inflammageing in the cardiovascular system: mechanisms, emerging targets, and novel therapeutic strategies

Molecular basis for the distinct functions of redox-active and FeS-transfering glutaredoxins

Cosolvent Analysis Toolkit (CAT): a robust hotspot identification platform for cosolvent simulations of proteins to expand the druggable proteome

Force-Sensitive Autoinhibition of the von Willebrand Factor Is Mediated by Interdomain Interactions

Mechanism of Focal Adhesion Kinase Mechanosensing

NDP52 acts as a redox sensor in PINK1/Parkin‐mediated mitophagy

Structure, Dynamics, and Ligand Recognition of Human-Specific CHRFAM7A (Dupα7) Nicotinic Receptor Linked to Neuropsychiatric Disorders

Mechanistic Investigation of the Androgen Receptor DNA-Binding Domain and Modulation via Direct Interactions with DNA Abasic Sites: Understanding the Mechanisms Involved in Castration-Resistant Prostate Cancer

QSAR Implementation for HIC Retention Time Prediction of mAbs Using Fab Structure: A Comparison between Structural Representations

Controlling the Heterodimerisation of the Phytosulfokine Receptor 1 (PSKR1) via Island Loop Modulation

Development of Charge-Augmented Three-Point Water Model (CAIPi3P) for Accurate Simulations of Intrinsically Disordered Proteins

Phosphatidylinositol 4,5-bisphosphate triggers activation of focal adhesion kinase by inducing clustering and conformational changes

The aldehyde dehydrogenase AldA contributes to the hypochlorite defense and is redox-controlled by protein S-bacillithiolation in Staphylococcus aureus

Allosteric Regulation of Focal Adhesion Kinase by PIP2 and ATP

The case for complement component 5 as a target in neurodegenerative disease

New Benchmark in DNA-Based Asymmetric Catalysis: Prevalence of Modified DNA/RNA Hybrid Systems

A Reliable Docking/Scoring Scheme Based on the Semiempirical Quantum Mechanical PM6-DH2 Method Accurately Covering Dispersion and H-Bonding: HIV-1 Protease with 22 Ligands

Drug profiling: knowing where it hits

Duplex Healing of Selectively Thiolated Guanosine Mismatches through a Cd2+ Chemical Stimulus

An Alkynylpyrimidine-Based Covalent Inhibitor That Targets a Unique Cysteine in NF-κB-Inducing Kinase

Druggability assessment of mammalian Per-Arnt-Sim [PAS] domains using computational approaches

Base-Catalyzed Peptide Hydrolysis Is Insensitive to Mechanical Stress

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