Johan Åqvist

ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 43

Top Venues

Journal of chemical theory and computation

Biochemistry

Molecular biology and evolution

Science advances

Swedish University of Agricultural Sciences (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

Swedish University of Agricultural Sciences - May 22 1987

Sweden

PHD

Uppsala Universitet

Sweden

MSC

Publications

Lucien Koenekoop, Johan Åqvist
Computational Analysis of Heat Capacity Effects in Protein-Ligand Binding. Journal of chemical theory and computation 20 (13) (2024)
Lucien Koenekoop, Johan Åqvist
Computational Analysis of Heat Capacity Effects in Protein-Ligand Binding. Journal of chemical theory and computation (2024)
Lucien Koenekoop, Johan Åqvist
Computational Analysis of Heat Capacity Effects in Protein-Ligand Binding. Journal of chemical theory and computation 20 (13) (2024)
Gabriel Oanca, Johan Åqvist
Why Do Empirical Valence Bond Simulations Yield Accurate Arrhenius Plots? Journal of chemical theory and computation (2024)
Gabriel Oanca, Johan Åqvist
Why Do Empirical Valence Bond Simulations Yield Accurate Arrhenius Plots? Journal of chemical theory and computation 20 (6) (2024)
Gabriel Oanca, Johan Åqvist
Why Do Empirical Valence Bond Simulations Yield Accurate Arrhenius Plots? Journal of chemical theory and computation 20 (6) (2024)
Gabriel Oanca, Johan Åqvist
Why Do Empirical Valence Bond Simulations Yield Accurate Arrhenius Plots? Journal of chemical theory and computation 20 (6) (2024)
Lucien Koenekoop, Johan Åqvist
Computational Analysis of Heat Capacity Effects in Protein-Ligand Binding. Journal of chemical theory and computation 20 (13) (2024)
Gabriel Oanca, Johan Åqvist
Why Do Empirical Valence Bond Simulations Yield Accurate Arrhenius Plots? Journal of chemical theory and computation 20 (6) (2024)
Ryan Scott Wilkins, Bjarte Aarmo Lund, Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal
Accurate Computation of Thermodynamic Activation Parameters in the Chorismate Mutase Reaction from Empirical Valence Bond Simulations. Journal of chemical theory and computation 20 (1) (2023)
Florian van der Ent, Susann Skagseth, Bjarte Aarmo Lund, Jaka Sočan, Julia J Griese, Bjørn O Brandsdal, Johan Åqvist
Computational design of the temperature optimum of an enzyme reaction. Science advances 9 (26) (2023)
Ryan Scott Wilkins, Bjarte Aarmo Lund, Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal
Accurate Computation of Thermodynamic Activation Parameters in the Chorismate Mutase Reaction from Empirical Valence Bond Simulations. Journal of chemical theory and computation 20 (1) (2023)
Lucien Koenekoop, Johan Åqvist
Principles of Cold-Adaptation of Fish Lactate Dehydrogenases Revealed by Computer Simulations of the Catalytic Reaction. Molecular biology and evolution (2023)
Florian van der Ent, Susann Skagseth, Bjarte Aarmo Lund, Jaka Sočan, Julia J Griese, Bjørn O Brandsdal, Johan Åqvist
Computational design of the temperature optimum of an enzyme reaction. Science advances 9 (26) (2023)
Ryan Scott Wilkins, Bjarte Aarmo Lund, Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal
Accurate Computation of Thermodynamic Activation Parameters in the Chorismate Mutase Reaction from Empirical Valence Bond Simulations. Journal of chemical theory and computation 20 (1) (2023)
Gabriel Oanca, Florian van der Ent, Johan Åqvist
Efficient Empirical Valence Bond Simulations with GROMACS. Journal of chemical theory and computation (2023)
Ryan Scott Wilkins, Bjarte Aarmo Lund, Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal
Accurate Computation of Thermodynamic Activation Parameters in the Chorismate Mutase Reaction from Empirical Valence Bond Simulations. Journal of chemical theory and computation 20 (1) (2023)
Lucien Koenekoop, Johan Åqvist
Principles of Cold Adaptation of Fish Lactate Dehydrogenases Revealed by Computer Simulations of the Catalytic Reaction. Molecular biology and evolution 40 (5) (2023)
Ryan Scott Wilkins, Bjarte Aarmo Lund, Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal
Accurate Computation of Thermodynamic Activation Parameters in the Chorismate Mutase Reaction from Empirical Valence Bond Simulations. Journal of chemical theory and computation (2023)
Lucien Koenekoop, Johan Åqvist
Principles of Cold Adaptation of Fish Lactate Dehydrogenases Revealed by Computer Simulations of the Catalytic Reaction. Molecular biology and evolution 40 (5) (2023)
Florian van der Ent, Susann Skagseth, Bjarte Aarmo Lund, Jaka Sočan, Julia J Griese, Bjørn O Brandsdal, Johan Åqvist
Computational design of the temperature optimum of an enzyme reaction. Science advances 9 (26) (2023)
Florian van der Ent, Bjarte Aarmo Lund, Linn Svalberg, Miha Purg, Ghislean Chukwu, Mikael Widersten, Geir Villy Isaksen, Bjørn Olav Brandsdal, Johan Åqvist
Structure and Mechanism of a Cold-Adapted Bacterial Lipase. Biochemistry 61 (10) (2022)
Lucien Koenekoop, Florian van der Ent, Miha Purg, Johan Åqvist
The Activation Parameters of a Cold-Adapted Short Chain Dehydrogenase Are Insensitive to Enzyme Oligomerization. Biochemistry 61 (7) (2022)
Johan Åqvist, Florian van der Ent
Calculation of Heat Capacity Changes in Enzyme Catalysis and Ligand Binding. Journal of chemical theory and computation 18 (10) (2022)
Willem Jespers, Laura H Heitman, Adriaan P IJzerman, Eddy Sotelo, Gerard J P van Westen, Johan Åqvist, Hugo Gutiérrez-de-Terán
Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations. PLoS computational biology 17 (11) (2021)
Jaka Sočan, Miha Purg, Johan Åqvist
Computer simulations explain the anomalous temperature optimum in a cold-adapted enzyme. Nature communications 11 (1) (2020)
Johan Åqvist, Jaka Sočan, Miha Purg
Hidden Conformational States and Strange Temperature Optima in Enzyme Catalysis. Biochemistry 59 (40) (2020)
Xueliang Ge, Ana Oliveira, Karin Hjort, Terese Bergfors, Hugo Gutiérrez-de-Terán, Dan I Andersson, Suparna Sanyal, Johan Åqvist
Author Correction: Inhibition of translation termination by small molecules targeting ribosomal release factors. Scientific reports 10 (1) (2020)
Willem Jespers, Grégory Verdon, Jhonny Azuaje, Maria Majellaro, Henrik Keränen, Xerardo García-Mera, Miles Congreve, Francesca Deflorian, Chris de Graaf, Andrei Zhukov, Andrew S Doré, Jonathan S Mason, Johan Åqvist, Robert M Cooke, Eddy Sotelo, Hugo Gutiérrez-de-Terán
X-Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists. Angewandte Chemie (International ed. in English) 59 (38) (2020)
María Majellaro, Willem Jespers, Abel Crespo, María J Núñez, Silvia Novio, Jhonny Azuaje, Rubén Prieto-Díaz, Claudia Gioé, Belma Alispahic, José Brea, María I Loza, Manuel Freire-Garabal, Carlota Garcia-Santiago, Carlos Rodríguez-García, Xerardo García-Mera, Olga Caamaño, Christian Fernandez-Masaguer, F Javier Sardina, Angela Stefanachi, Abdelaziz El Maatougui, Ana Mallo-Abreu, Johan Åqvist, Hugo Gutiérrez-de-Terán, Eddy Sotelo
3,4-Dihydropyrimidin-2(1H)-ones as Antagonists of the Human A2B Adenosine Receptor: Optimization, Structure-Activity Relationship Studies, and Enantiospecific Recognition. Journal of medicinal chemistry 64 (1) (2020)
Willem Jespers, Mauricio Esguerra, Johan Åqvist, Hugo Gutiérrez-de-Terán
QligFEP: an automated workflow for small molecule free energy calculations in Q. Journal of cheminformatics 11 (1) (2019)
Willem Jespers, Geir V Isaksen, Tor A H Andberg, Silvana Vasile, Amber van Veen, Johan Åqvist, Bjørn Olav Brandsdal, Hugo Gutiérrez-de-Terán
QresFEP: An Automated Protocol for Free Energy Calculations of Protein Mutations in Q. Journal of chemical theory and computation 15 (10) (2019)
Xueliang Ge, Ana Oliveira, Karin Hjort, Terese Bergfors, Hugo Gutiérrez-de-Terán, Dan I Andersson, Suparna Sanyal, Johan Åqvist
Inhibition of translation termination by small molecules targeting ribosomal release factors. Scientific reports 9 (1) (2019)
Jaka Sočan, Geir Villy Isaksen, Bjørn Olav Brandsdal, Johan Åqvist
Towards Rational Computational Engineering of Psychrophilic Enzymes. Scientific reports 9 (1) (2019)
Rebecka Isaksson, Jens Lindman, Johan Wannberg, Jessica Sallander, Maria Backlund, Dhaniel Baraldi, Robert E Widdop, Mathias Hallberg, Johan Åqvist, Hugo Gutiérrez-de-Terán, Johan Gising, Mats Larhed
A Series of Analogues to the AT2R Prototype Antagonist C38 Allow Fine Tuning of the Previously Reported Antagonist Binding Mode. ChemistryOpen 8 (1) (2019)
Yasmin Shamsudin Khan, Hugo Gutiérrez-de-Terán, Johan Åqvist
Molecular Mechanisms in the Selectivity of Nonsteroidal Anti-Inflammatory Drugs. Biochemistry 57 (7) (2018)
Jaka Sočan, Masoud Kazemi, Geir Villy Isaksen, Bjørn Olav Brandsdal, Johan Åqvist
Catalytic Adaptation of Psychrophilic Elastase. Biochemistry 57 (20) (2018)
Jhonny Azuaje, Willem Jespers, Vicente Yaziji, Ana Mallo, María Majellaro, Olga Caamaño, María I Loza, María I Cadavid, José Brea, Johan Åqvist, Eddy Sotelo, Hugo Gutiérrez-de-Terán
Effect of Nitrogen Atom Substitution in A3 Adenosine Receptor Binding: N-(4,6-Diarylpyridin-2-yl)acetamides as Potent and Selective Antagonists. Journal of medicinal chemistry 60 (17) (2017)
Christoffer Lind, Ana Oliveira, Johan Åqvist
Origin of the omnipotence of eukaryotic release factor 1. Nature communications 8 (1) (2017)
Johan Åqvist, Masoud Kazemi, Geir Villy Isaksen, Bjørn Olav Brandsdal
Entropy and Enzyme Catalysis. Accounts of chemical research 50 (2) (2017)
Yasmin Shamsudin Khan, Hugo Gutiérrez-de-Terán, Johan Åqvist
Probing the Time Dependency of Cyclooxygenase-1 Inhibitors by Computer Simulations. Biochemistry 56 (13) (2017)
Johan Åqvist
Cold Adaptation of Triosephosphate Isomerase. Biochemistry 56 (32) (2017)
Geir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal
Thermodynamics of the Purine Nucleoside Phosphorylase Reaction Revealed by Computer Simulations. Biochemistry 56 (1) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Johan Åqvist