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9 results in Authors: Marc van der Kamp

Theoretical and Computational Chemistry

Working Paper

Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases

Rory Crean, Michal Biler, Marc van der Kamp, Alvan C. Hengge, Shina Caroline Lynn Kamerlin

604

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Catalysis

Working Paper

The Path to Actinorhodin: Regio- and Stereoselective Ketone Reduction by a Type II Polyketide Ketoreductase Revealed in Atomistic Detail

Stefano Artin Serapian, John Crosby, Matthew P. Crump, Marc W. van der Kamp

365

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Biological and Medicinal Chemistry

Working Paper

Multiscale simulations identify origins of differential carbapenem hydrolysis by the OXA-48 β-lactamase

Viivi Hirvonen, Tal Moshe Weizmann, Adrian Mulholland, James Spencer, Marc van der Kamp

279

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Citations

Biological and Medicinal Chemistry

Working Paper

Catalytic Mechanism of the Colistin Resistance Protein MCR-1

Reynier Suardiaz, Emily Lythell, Philip Hinchliffed, Marc van der Kamp, James Spencer, Natalie Fey, Adrian Mulholland

253

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Biological and Medicinal Chemistry

Working Paper

Small Changes in Hydration Determine Cephalosporinase Activity of OXA-48 β-Lactamases

Viivi H. A. Hirvonen, Adrian Mulholland, James Spencer, Marc W. van der Kamp

460

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Biological and Medicinal Chemistry

Working Paper

An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases

Viivi H. A. Hirvonen, Katharine Hammond, Ewa I. Chudyk, Michael A. L. Limb, James Spencer, Adrian Mulholland, Marc W. van der Kamp

446

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Biological and Medicinal Chemistry

Working Paper

Unpicking the Cause of Stereoselectivity in Actinorhodin Ketoreductase Variants with Atomistic Simulations

Stefano Artin Serapian, Marc van der Kamp

660

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Biological and Medicinal Chemistry

Working Paper

Virtual reality sampled pathways guide free energy calculation of protein-ligand binding

Helen Deeks, Kirill Zinovjev, Jonathan Barnoud, Adrian Mulholland, Marc van der Kamp, David Glowacki

284

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Biological and Medicinal Chemistry

Working Paper

Enlighten2: Molecular Dynamics Simulations of Protein-Ligand Systems Made Accessible

Kirill Zinovjev, Marc W. van der Kamp

1,949

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9 results in Marc van der Kamp in Authors: Marc van der Kamp

Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases

The Path to Actinorhodin: Regio- and Stereoselective Ketone Reduction by a Type II Polyketide Ketoreductase Revealed in Atomistic Detail

Multiscale simulations identify origins of differential carbapenem hydrolysis by the OXA-48 β-lactamase

Catalytic Mechanism of the Colistin Resistance Protein MCR-1

Small Changes in Hydration Determine Cephalosporinase Activity of OXA-48 β-Lactamases

An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases

Unpicking the Cause of Stereoselectivity in Actinorhodin Ketoreductase Variants with Atomistic Simulations

Virtual reality sampled pathways guide free energy calculation of protein-ligand binding

Enlighten2: Molecular Dynamics Simulations of Protein-Ligand Systems Made Accessible

9 results in Authors: Marc van der Kamp