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Electronic Structure Investigation and Parametrization of Biologically Relevant Iron–Sulfur Clusters

Journal of chemical information and modeling, 2014-02, Vol.54 (2), p.613-620

2014

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In vitro mechanistic studies on α-amanitin and its putative antidotes

Archives of toxicology, 2020-06, Vol.94 (6), p.2061-2078

2020

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Cooperative Electrostatic Interactions Drive Functional Evolution in the Alkaline Phosphatase Superfamily

Journal of the American Chemical Society, 2015-07, Vol.137 (28), p.9061-9076

2015

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An injectable, naproxen-conjugated, supramolecular hydrogel with ultra-low critical gelation concentration-prepared from a known folate receptor ligand

Soft matter, 2022-05, Vol.18 (2), p.3955-3966

2022

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Introduction of a Glycine Linker Connecting the Heavy and Light Chains in Synthetic Cardosin B‑Derived Rennet Changes the Specificity of Subpocket S3

The journal of physical chemistry. B, 2021-05, Vol.125 (17), p.4368-4374

2021

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SLMP53-1 Inhibits Tumor Cell Growth through Regulation of Glucose Metabolism and Angiogenesis in a P53-Dependent Manner

International journal of molecular sciences, 2020-01, Vol.21 (2), p.596

2020

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Polycaprolactone Enzymatic Hydrolysis: A Mechanistic Study

ACS omega, 2019-04, Vol.4 (4), p.6769-6774

2019

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A breakthrough on Amanita phalloides poisoning: an effective antidotal effect by polymyxin B

Archives of toxicology, 2015-12, Vol.89 (12), p.2305-2323

2015

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Correction to: In vitro mechanistic studies on α-amanitin and its putative antidotes

Archives of toxicology, 2020-06, Vol.94 (6), p.2079-2080

2020

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Parameters for molecular dynamics simulations of iron-sulfur proteins

Journal of computational chemistry, 2013-07, Vol.34 (18), p.1540-1548

2013

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Correction for Electronic Structure Investigation and Parametrization of Biologically Relevant Iron–Sulfur Clusters

Journal of chemical information and modeling, 2015-07, Vol.55 (7), p.1508-1508

2015

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Challenges in computational studies of enzyme structure, function and dynamics

Journal of molecular graphics & modelling, 2014-11, Vol.54, p.62-79

2014

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Enzymatic Polymerization of PCL-PEG Co-polymers for Biomedical Applications

Frontiers in molecular biosciences, 2019-10, Vol.6, p.109-109

2019

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The Catalytic Mechanism of RNA Polymerase II

Journal of chemical theory and computation, 2011-04, Vol.7 (4), p.1177-1188

2011

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Theoretical Study of the Unusual Protonation Properties of the Active Site Cysteines in Thioredoxin

The journal of physical chemistry. B, 2006-03, Vol.110 (11), p.5758-5761

2006

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Papain-Mediated Conjugation of Peptide Nucleic Acids to Delivery Peptides: A Density Functional Theory/Molecular Mechanics Metadynamics Study in Aqueous and Organic Solvent

The journal of physical chemistry. B, 2024-08, Vol.128 (31), p.7500-7512

2024

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Expanding the toolbox of Baeyer-Villiger and flavin monooxygenase biocatalysts for the enantiodivergent green synthesis of sulfoxides

Green chemistry : an international journal and green chemistry resource : GC, 2024-07, Vol.26 (15), p.8685-8693

2024

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Designing Cell Delivery Peptides and SARS-CoV-2-Targeting Small Interfering RNAs: A Comprehensive Bioinformatics Study with Generative Adversarial Network-Based Peptide Design and In Vitro Assays

Molecular pharmaceutics, 2023-12, Vol.20 (12), p.6079-6089

2023

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Mechanism of Thioredoxin-Catalyzed Disulfide Reduction. Activation of the Buried Thiol and Role of the Variable Active-Site Residues

The journal of physical chemistry. B, 2008-02, Vol.112 (8), p.2511-2523

2008

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Insights into the Degradation of Polymer–Drug Conjugates by an Overexpressed Enzyme in Cancer Cells

Journal of medicinal chemistry, 2023-02, Vol.66 (4), p.2761-2772

2023

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New in silico insights into the inhibition of RNAP II by α-amanitin and the protective effect mediated by effective antidotes

Journal of molecular graphics & modelling, 2014-06, Vol.51, p.120-127

2014

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The first mammalian aldehyde oxidase crystal structure: insights into substrate specificity

The Journal of biological chemistry, 2012-11, Vol.287 (48), p.40690-40702

2012

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Why the Flavin Adenine Dinucleotide (FAD) Cofactor Needs To Be Covalently Linked to Complex II of the Electron‐Transport Chain for the Conversion of FADH2 into FAD

Chemistry : a European journal, 2018-04, Vol.24 (20), p.5246-5252

2018

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Discovery and Rational Mutagenesis of Methionine Sulfoxide Reductase Biocatalysts To Expand the Substrate Scope of the Kinetic Resolution of Chiral Sulfoxides

ACS catalysis, 2023-04, Vol.13 (7), p.4742-4751

2023

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Modeling the mechanisms of biological GTP hydrolysis

Archives of biochemistry and biophysics, 2015-09, Vol.582 (SI), p.80-90

2015

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Electronic Structure Investigation and Parametrization of Biologically Relevant Iron–Sulfur Clusters

In vitro mechanistic studies on α-amanitin and its putative antidotes

Cooperative Electrostatic Interactions Drive Functional Evolution in the Alkaline Phosphatase Superfamily

An injectable, naproxen-conjugated, supramolecular hydrogel with ultra-low critical gelation concentration-prepared from a known folate receptor ligand

Introduction of a Glycine Linker Connecting the Heavy and Light Chains in Synthetic Cardosin B‑Derived Rennet Changes the Specificity of Subpocket S3

SLMP53-1 Inhibits Tumor Cell Growth through Regulation of Glucose Metabolism and Angiogenesis in a P53-Dependent Manner

Polycaprolactone Enzymatic Hydrolysis: A Mechanistic Study

A breakthrough on Amanita phalloides poisoning: an effective antidotal effect by polymyxin B

Correction to: In vitro mechanistic studies on α-amanitin and its putative antidotes

Parameters for molecular dynamics simulations of iron-sulfur proteins

Correction for Electronic Structure Investigation and Parametrization of Biologically Relevant Iron–Sulfur Clusters

Challenges in computational studies of enzyme structure, function and dynamics

Enzymatic Polymerization of PCL-PEG Co-polymers for Biomedical Applications

The Catalytic Mechanism of RNA Polymerase II

Theoretical Study of the Unusual Protonation Properties of the Active Site Cysteines in Thioredoxin

Papain-Mediated Conjugation of Peptide Nucleic Acids to Delivery Peptides: A Density Functional Theory/Molecular Mechanics Metadynamics Study in Aqueous and Organic Solvent

Expanding the toolbox of Baeyer-Villiger and flavin monooxygenase biocatalysts for the enantiodivergent green synthesis of sulfoxides

Designing Cell Delivery Peptides and SARS-CoV-2-Targeting Small Interfering RNAs: A Comprehensive Bioinformatics Study with Generative Adversarial Network-Based Peptide Design and In Vitro Assays

Mechanism of Thioredoxin-Catalyzed Disulfide Reduction. Activation of the Buried Thiol and Role of the Variable Active-Site Residues

Insights into the Degradation of Polymer–Drug Conjugates by an Overexpressed Enzyme in Cancer Cells

New in silico insights into the inhibition of RNAP II by α-amanitin and the protective effect mediated by effective antidotes

The first mammalian aldehyde oxidase crystal structure: insights into substrate specificity

Why the Flavin Adenine Dinucleotide (FAD) Cofactor Needs To Be Covalently Linked to Complex II of the Electron‐Transport Chain for the Conversion of FADH2 into FAD

Discovery and Rational Mutagenesis of Methionine Sulfoxide Reductase Biocatalysts To Expand the Substrate Scope of the Kinetic Resolution of Chiral Sulfoxides

Modeling the mechanisms of biological GTP hydrolysis

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