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MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra
MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra
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MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra

Huber, Florian ; van der Burg, Sven ; van der Hooft, Justin J. J. ; Ridder, Lars

Journal of cheminformatics, 2021-10, Vol.13 (1), p.84-84, Article 84 [Periódico revisado por pares]

Cham: Springer International Publishing

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2
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine
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3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

McGuire, Ross ; Verhoeven, Stefan ; Vass, Márton ; Vriend, Gerrit ; de Esch, Iwan J. P ; Lusher, Scott J ; Leurs, Rob ; Ridder, Lars ; Kooistra, Albert J ; Ritschel, Tina ; de Graaf, Chris

Journal of chemical information and modeling, 2017-02, Vol.57 (2), p.115-121 [Periódico revisado por pares]

United States: American Chemical Society

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3
Aromatic Hydroxylation by Cytochrome P450:  Model Calculations of Mechanism and Substituent Effects
Aromatic Hydroxylation by Cytochrome P450:  Model Calculations of Mechanism and Substituent Effects
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Aromatic Hydroxylation by Cytochrome P450:  Model Calculations of Mechanism and Substituent Effects

Bathelt, Christine M ; Ridder, Lars ; Mulholland, Adrian J ; Harvey, Jeremy N

Journal of the American Chemical Society, 2003-12, Vol.125 (49), p.15004-15005 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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4
QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry
QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry
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QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry

Zapata, Felipe ; Ridder, Lars ; Hidding, Johan ; Jacob, Christoph R ; Infante, Ivan ; Visscher, Lucas

Journal of chemical information and modeling, 2019-07, Vol.59 (7), p.3191-3197 [Periódico revisado por pares]

United States: American Chemical Society

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5
A Quantum Mechanical/Molecular Mechanical Study of the Hydroxylation of Phenol and Halogenated Derivatives by Phenol Hydroxylase
A Quantum Mechanical/Molecular Mechanical Study of the Hydroxylation of Phenol and Halogenated Derivatives by Phenol Hydroxylase
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A Quantum Mechanical/Molecular Mechanical Study of the Hydroxylation of Phenol and Halogenated Derivatives by Phenol Hydroxylase

Ridder, Lars ; Mulholland, Adrian J ; Rietjens, Ivonne M. C. M ; Vervoort, Jacques

Journal of the American Chemical Society, 2000-09, Vol.122 (36), p.8728-8738 [Periódico revisado por pares]

American Chemical Society

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6
Mechanisms of Antibiotic Resistance:  QM/MM Modeling of the Acylation Reaction of a Class A β-Lactamase with Benzylpenicillin
Mechanisms of Antibiotic Resistance:  QM/MM Modeling of the Acylation Reaction of a Class A β-Lactamase with Benzylpenicillin
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Mechanisms of Antibiotic Resistance:  QM/MM Modeling of the Acylation Reaction of a Class A β-Lactamase with Benzylpenicillin

Hermann, Johannes C ; Hensen, Christian ; Ridder, Lars ; Mulholland, Adrian J ; Höltje, Hans-Dieter

Journal of the American Chemical Society, 2005-03, Vol.127 (12), p.4454-4465 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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7
Identification of Glu166 as the General Base in the Acylation Reaction of Class A β-Lactamases through QM/MM Modeling
Identification of Glu166 as the General Base in the Acylation Reaction of Class A β-Lactamases through QM/MM Modeling
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Identification of Glu166 as the General Base in the Acylation Reaction of Class A β-Lactamases through QM/MM Modeling

Hermann, Johannes C ; Ridder, Lars ; Mulholland, Adrian J ; Höltje, Hans-Dieter

Journal of the American Chemical Society, 2003-08, Vol.125 (32), p.9590-9591 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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8
Quantum Mechanical/Molecular Mechanical Free Energy Simulations of the Glutathione S-Transferase (M1-1) Reaction with Phenanthrene 9,10-Oxide
Quantum Mechanical/Molecular Mechanical Free Energy Simulations of the Glutathione S-Transferase (M1-1) Reaction with Phenanthrene 9,10-Oxide
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Quantum Mechanical/Molecular Mechanical Free Energy Simulations of the Glutathione S-Transferase (M1-1) Reaction with Phenanthrene 9,10-Oxide

Ridder, Lars ; Rietjens, Ivonne M. C. M ; Vervoort, Jacques ; Mulholland, Adrian J

Journal of the American Chemical Society, 2002-08, Vol.124 (33), p.9926-9936 [Periódico revisado por pares]

Washington, DC: American Chemical Society

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9
Correlation of Calculated Activation Energies with Experimental Rate Constants for an Enzyme Catalyzed Aromatic Hydroxylation
Correlation of Calculated Activation Energies with Experimental Rate Constants for an Enzyme Catalyzed Aromatic Hydroxylation
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Correlation of Calculated Activation Energies with Experimental Rate Constants for an Enzyme Catalyzed Aromatic Hydroxylation

Ridder, Lars ; Mulholland, Adrian J ; Vervoort, Jacques ; Rietjens, Ivonne M. C. M

Journal of the American Chemical Society, 1998-08, Vol.120 (30), p.7641-7642 [Periódico revisado por pares]

American Chemical Society

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