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Evolution of dynamical networks enhances catalysis in a designer enzyme

Nature chemistry, 2021-10, Vol.13 (10), p.1017-1022

2021

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Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

Biochemistry (Easton), 2013-04, Vol.52 (16), p.2708-2728

2013

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Dynamical origins of heat capacity changes in enzyme-catalysed reactions

Nature communications, 2018-03, Vol.9 (1), p.1177-7, Article 1177

2018

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The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis

Angewandte Chemie International Edition, 2023-01, Vol.62 (3), p.e202213053-n/a

International ed. in English, 2023

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Conformation control of the histidine kinase BceS of Bacillus subtilis by its cognate ABC‐transporter facilitates need‐based activation of antibiotic resistance

Molecular microbiology, 2021-01, Vol.115 (1), p.157-174

2021

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Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases

Chembiochem : a European journal of chemical biology, 2023-07, Vol.24 (14), p.e202300382-n/a

2023

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Molecular Determinants of Carbocation Cyclisation in Bacterial Monoterpene Synthases

Chembiochem : a European journal of chemical biology, 2022-03, Vol.23 (5), p.e202100688-n/a

2022

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Synthetic cannabinoid receptor agonists are monoamine oxidase‐A selective inhibitors

The FEBS journal, 2023-06, Vol.290 (12), p.3243-3257

2023

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Taming the Reactivity of Monoterpene Synthases To Guide Regioselective Product Hydroxylation

Chembiochem : a European journal of chemical biology, 2020-04, Vol.21 (7), p.985-990

2020

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On the Temperature Dependence of Enzyme-Catalyzed Rates

Biochemistry (Easton), 2016-03, Vol.55 (12), p.1681-1688

2016

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QM/MM modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysis

The FEBS journal, 2013-07, Vol.280 (13), p.3120-3131

2013

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Multi‐scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins

Journal of computational chemistry, 2020-10, Vol.41 (26), p.2278-2295

2020

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Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases

Journal of the American Chemical Society, 2021-03, Vol.143 (10), p.3830-3845

2021

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The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis

Nature communications, 2019-08, Vol.10 (1), p.3698-12, Article 3698

2019

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QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes

Organic & biomolecular chemistry, 2018, Vol.16 (24), p.4443-4455

2018

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An Esterase‐like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis

Angewandte Chemie International Edition, 2019-02, Vol.58 (8), p.2305-2309

International ed. in English, 2019

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Structural and Dynamic Properties of the Human Prion Protein

Biophysical journal, 2014-03, Vol.106 (5), p.1152-1163

2014

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Pathogenic Mutations in the Hydrophobic Core of the Human Prion Protein Can Promote Structural Instability and Misfolding

Journal of molecular biology, 2010-12, Vol.404 (4), p.732-748

2010

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The Catalytic Mechanism of a Natural Diels–Alderase Revealed in Molecular Detail

Journal of the American Chemical Society, 2016-05, Vol.138 (19), p.6095-6098

2016

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Diverse Effects on the Native β-Sheet of the Human Prion Protein Due to Disease-Associated Mutations

Biochemistry (Easton), 2010-11, Vol.49 (45), p.9874-9881

2010

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Mitochondrial import, health and mtDNA copy number variability seen when using type II and type V CRISPR effectors

Journal of cell science, 2020-09, Vol.133 (18)

2020

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Free energy along drug-protein binding pathways interactively sampled in virtual reality

Scientific reports, 2023-10, Vol.13 (1), p.16665-16665, Article 16665

2023

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Antibiotic origami: selective formation of spirotetronates in abyssomicin biosynthesis

Chemical science (Cambridge), 2024-08, Vol.15 (34), p.14009-14015

2024

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How Static Disorder Mimics Decoherence in Anisotropy Pump–Probe Experiments on Purple-Bacteria Light Harvesting Complexes

The journal of physical chemistry. B, 2016-11, Vol.120 (44), p.11449-11463

2016

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Delineation of the complete reaction cycle of a natural Diels-Alderase

Chemical science (Cambridge), 2024-07, Vol.15 (29), p.11572-11583

2024

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Evolution of dynamical networks enhances catalysis in a designer enzyme

Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

Dynamical origins of heat capacity changes in enzyme-catalysed reactions

The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis

Conformation control of the histidine kinase BceS of Bacillus subtilis by its cognate ABC‐transporter facilitates need‐based activation of antibiotic resistance

Interrogation of an Enzyme Library Reveals the Catalytic Plasticity of Naturally Evolved [4+2] Cyclases

Molecular Determinants of Carbocation Cyclisation in Bacterial Monoterpene Synthases

Synthetic cannabinoid receptor agonists are monoamine oxidase‐A selective inhibitors

Taming the Reactivity of Monoterpene Synthases To Guide Regioselective Product Hydroxylation

On the Temperature Dependence of Enzyme-Catalyzed Rates

QM/MM modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysis

Multi‐scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins

Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases

The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis

QM/MM simulations identify the determinants of catalytic activity differences between type II dehydroquinase enzymes

An Esterase‐like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis

Structural and Dynamic Properties of the Human Prion Protein

Pathogenic Mutations in the Hydrophobic Core of the Human Prion Protein Can Promote Structural Instability and Misfolding

The Catalytic Mechanism of a Natural Diels–Alderase Revealed in Molecular Detail

Diverse Effects on the Native β-Sheet of the Human Prion Protein Due to Disease-Associated Mutations

Mitochondrial import, health and mtDNA copy number variability seen when using type II and type V CRISPR effectors

Free energy along drug-protein binding pathways interactively sampled in virtual reality

Antibiotic origami: selective formation of spirotetronates in abyssomicin biosynthesis

How Static Disorder Mimics Decoherence in Anisotropy Pump–Probe Experiments on Purple-Bacteria Light Harvesting Complexes

Delineation of the complete reaction cycle of a natural Diels-Alderase

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