Johan Åqvist

Uppsala University

Sweden

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Articles (11)

Why Do Empirical Valence Bond Simulations Yield Accurate Arrhenius Plots?

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Year:

2024

Efficient Empirical Valence Bond Simulations with GROMACS

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Year:

2023

Reply to Comment on: “Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme”

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Year:

2023

Computational design of the temperature optimum of an enzyme reaction

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Year:

2023

Principles of Cold Adaptation of Fish Lactate Dehydrogenases Revealed by Computer Simulations of the Catalytic Reaction

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Year:

2023

Calculation of Heat Capacity Changes in Enzyme Catalysis and Ligand Binding

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Year:

2022

Structure and Mechanism of a Cold-Adapted Bacterial Lipase

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Year:

2022

The Activation Parameters of a Cold-Adapted Short Chain Dehydrogenase Are Insensitive to Enzyme Oligomerization

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Year:

2022

Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme

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Year:

2022

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

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Year:

2021

Dissecting the mechanism of (R)-3-hydroxybutyrate dehydrogenase by kinetic isotope effects, protein crystallography, and computational chemistry

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Year:

2020

Collaborators (7)

Willem Jespers

Assistant Professor

Leiden University

NETHERLANDS

Julia J. Griese

Assistant Professor

Uppsala University

SWEDEN

Eddy Sotelo

Catedrático de Universidad/ Full Professor

Universidade de Santiago de Compostela

SPAIN

Bjørn Olav Brandsdal

Professor in Medicinal and Structural Chemistry

University of Tromsø

NORWAY

Rafael Guimaraes da Silva

University of St. Andrews

UNITED KINGDOM

Hugo Gutiérrez de Terán

Associate professor

Uppsala University

SWEDEN

Mikael Widersten

Uppsala University

SWEDEN

Johan Åqvist

Research Interests

Explore related searches

Contact this professor

Articles (11)

Why Do Empirical Valence Bond Simulations Yield Accurate Arrhenius Plots?

Efficient Empirical Valence Bond Simulations with GROMACS

Reply to Comment on: “Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme”

Computational design of the temperature optimum of an enzyme reaction

Principles of Cold Adaptation of Fish Lactate Dehydrogenases Revealed by Computer Simulations of the Catalytic Reaction

Calculation of Heat Capacity Changes in Enzyme Catalysis and Ligand Binding

Structure and Mechanism of a Cold-Adapted Bacterial Lipase

The Activation Parameters of a Cold-Adapted Short Chain Dehydrogenase Are Insensitive to Enzyme Oligomerization

Computer Simulations Reveal an Entirely Entropic Activation Barrier for the Chemical Step in a Designer Enzyme

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

Dissecting the mechanism of (R)-3-hydroxybutyrate dehydrogenase by kinetic isotope effects, protein crystallography, and computational chemistry

Collaborators (7)

Willem Jespers

Julia J. Griese

Eddy Sotelo

Bjørn Olav Brandsdal

Rafael Guimaraes da Silva

Hugo Gutiérrez de Terán

Mikael Widersten

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