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Templated Enzymatic Synthesis of δ‑Cyclodextrin

Journal of the American Chemical Society, 2023-03, Vol.145 (8), p.4882-4891

2023

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pH- and concentration-dependent supramolecular assembly of a fungal defensin plectasin variant into helical non-amyloid fibrils

Nature communications, 2022-06, Vol.13 (1), p.3162-3162, Article 3162

2022

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Dynamics of Human Serum Transferrin in Varying Physicochemical Conditions Explored by Using Molecular Dynamics Simulations

Molecular pharmaceutics, 2022-08, Vol.19 (8), p.2795-2806

2022

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Physical constraints and functional plasticity of cellulases

Nature communications, 2021-06, Vol.12 (1), p.3847-3847, Article 3847

2021

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Advancing Therapeutic Protein Discovery and Development through Comprehensive Computational and Biophysical Characterization

Molecular pharmaceutics, 2020-02, Vol.17 (2), p.426-440, Article acs.molpharmaceut.9b00852

2020

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Self-Interactions of Two Monoclonal Antibodies: Small-Angle X‑ray Scattering, Light Scattering, and Coarse-Grained Modeling

Molecular pharmaceutics, 2022-02, Vol.19 (2), p.508-519

2022

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Investigations of Albumin–Insulin Detemir Complexes Using Molecular Dynamics Simulations and Free Energy Calculations

Molecular pharmaceutics, 2020-01, Vol.17 (1), p.132-144

2020

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Water Distribution and Clustering on the Lyophilized IgG1 Surface: Insight from Molecular Dynamics Simulations

Molecular pharmaceutics, 2020-03, Vol.17 (3), p.900-908

2020

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Albumin-neprilysin fusion protein: understanding stability using small angle X-ray scattering and molecular dynamic simulations

Scientific reports, 2020-06, Vol.10 (1), p.10089, Article 10089

2020

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Evaluation of a concerted vs. sequential oxygen activation mechanism in α-ketoglutarate–dependent nonheme ferrous enzymes

Proceedings of the National Academy of Sciences - PNAS, 2020-03, Vol.117 (10), p.5152-5159

2020

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Small-Angle X‑ray Scattering Data in Combination with RosettaDock Improves the Docking Energy Landscape

Journal of chemical information and modeling, 2017-10, Vol.57 (10), p.2463-2475

2017

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The Effect of Point Mutations on the Biophysical Properties of an Antimicrobial Peptide: Development of a Screening Protocol for Peptide Stability Screening

Molecular pharmaceutics, 2020-09, Vol.17 (9), p.3298-3313

2020

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Glucagon-like Peptide 1 Conjugated to Recombinant Human Serum Albumin Variants with Modified Neonatal Fc Receptor Binding Properties. Impact on Molecular Structure and Half-Life

Biochemistry (Easton), 2017-09, Vol.56 (36), p.4860-4870

2017

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Combining Molecular Dynamics Simulations and Biophysical Characterization to Investigate Protein-Specific Excipient Effects on Reteplase during Freeze Drying

Pharmaceutics, 2023-06, Vol.15 (7), p.1854

2023

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Revealing the Compact Structure of Lactic Acid Bacterial Heteroexopolysaccharides by SAXS and DLS

Biomacromolecules, 2017-03, Vol.18 (3), p.747-756

2017

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Self-Interaction of Human Serum Albumin: A Formulation Perspective

ACS omega, 2018-11, Vol.3 (11), p.16105-16117

2018

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Structural and functional aspects of mannuronic acid–specific PL6 alginate lyase from the human gut microbe Bacteroides cellulosilyticus

The Journal of biological chemistry, 2019-11, Vol.294 (47), p.17915-17930

2019

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Computing Cellulase Kinetics with a Two-Domain Linear Interaction Energy Approach

ACS omega, 2021-01, Vol.6 (2), p.1547-1555

2021

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In-silico study of the interactions between acylated glucagon like-peptide-1 analogues and the native receptor

Journal of biomolecular structure & dynamics, 2023-07, Vol.41 (11), p.5007-5021

2023

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Optimised Protocol for Drying Aqueous Enzyme Solutions in Organic Solvents – Comparison of Free and Immobilised Candida antarctica Lipase B

ChemCatChem, 2023-01, Vol.15 (1), p.n/a

2023

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Dual Nicotinic Acetylcholine Receptor α4β2 Antagonists/α7 Agonists: Synthesis, Docking Studies, and Pharmacological Evaluation of Tetrahydroisoquinolines and Tetrahydroisoquinolinium Salts

Journal of medicinal chemistry, 2018-02, Vol.61 (4), p.1719-1729

2018

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Molecular insights into alginate β‐lactoglobulin A multivalencies—The foundation for their amorphous aggregates and coacervation

Protein science, 2023-02, Vol.32 (2), p.e4556-n/a

2023

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Solution structures of long‐acting insulin analogues and their complexes with albumin

Acta crystallographica. Section D, Biological crystallography., 2019-03, Vol.75 (3), p.272-282

2019

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The Catalytic Acid–Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable α‑Retaining and β‑Inverting Activity in an N‑Acetylgalactosaminidase from Akkermansia muciniphila

ACS catalysis, 2020-03, Vol.10 (6), p.3809-3819

2020

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Direct coordination of pterin to FeII enables neurotransmitter biosynthesis in the pterin-dependent hydroxylases

Proceedings of the National Academy of Sciences - PNAS, 2021-04, Vol.118 (15), p.1-8

2021

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Templated Enzymatic Synthesis of δ‑Cyclodextrin

pH- and concentration-dependent supramolecular assembly of a fungal defensin plectasin variant into helical non-amyloid fibrils

Dynamics of Human Serum Transferrin in Varying Physicochemical Conditions Explored by Using Molecular Dynamics Simulations

Physical constraints and functional plasticity of cellulases

Advancing Therapeutic Protein Discovery and Development through Comprehensive Computational and Biophysical Characterization

Self-Interactions of Two Monoclonal Antibodies: Small-Angle X‑ray Scattering, Light Scattering, and Coarse-Grained Modeling

Investigations of Albumin–Insulin Detemir Complexes Using Molecular Dynamics Simulations and Free Energy Calculations

Water Distribution and Clustering on the Lyophilized IgG1 Surface: Insight from Molecular Dynamics Simulations

Albumin-neprilysin fusion protein: understanding stability using small angle X-ray scattering and molecular dynamic simulations

Evaluation of a concerted vs. sequential oxygen activation mechanism in α-ketoglutarate–dependent nonheme ferrous enzymes

Small-Angle X‑ray Scattering Data in Combination with RosettaDock Improves the Docking Energy Landscape

The Effect of Point Mutations on the Biophysical Properties of an Antimicrobial Peptide: Development of a Screening Protocol for Peptide Stability Screening

Glucagon-like Peptide 1 Conjugated to Recombinant Human Serum Albumin Variants with Modified Neonatal Fc Receptor Binding Properties. Impact on Molecular Structure and Half-Life

Combining Molecular Dynamics Simulations and Biophysical Characterization to Investigate Protein-Specific Excipient Effects on Reteplase during Freeze Drying

Revealing the Compact Structure of Lactic Acid Bacterial Heteroexopolysaccharides by SAXS and DLS

Self-Interaction of Human Serum Albumin: A Formulation Perspective

Structural and functional aspects of mannuronic acid–specific PL6 alginate lyase from the human gut microbe Bacteroides cellulosilyticus

Computing Cellulase Kinetics with a Two-Domain Linear Interaction Energy Approach

In-silico study of the interactions between acylated glucagon like-peptide-1 analogues and the native receptor

Optimised Protocol for Drying Aqueous Enzyme Solutions in Organic Solvents – Comparison of Free and Immobilised Candida antarctica Lipase B

Dual Nicotinic Acetylcholine Receptor α4β2 Antagonists/α7 Agonists: Synthesis, Docking Studies, and Pharmacological Evaluation of Tetrahydroisoquinolines and Tetrahydroisoquinolinium Salts

Molecular insights into alginate β‐lactoglobulin A multivalencies—The foundation for their amorphous aggregates and coacervation

Solution structures of long‐acting insulin analogues and their complexes with albumin

The Catalytic Acid–Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable α‑Retaining and β‑Inverting Activity in an N‑Acetylgalactosaminidase from Akkermansia muciniphila

Direct coordination of pterin to FeII enables neurotransmitter biosynthesis in the pterin-dependent hydroxylases

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