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Johan Åqvist

Showing results (31-40 of 84) with videos related to

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Biochemistry|December 16, 2016
Thermodynamics of the Purine Nucleoside Phosphorylase Reaction Revealed by Computer SimulationsGeir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal
Plos One|October 7, 2014
Structural and energetic effects of A2A adenosine receptor mutations on agonist and antagonist bindingHenrik Keränen, Hugo Gutiérrez-de-Terán, Johan Åqvist
Biochemistry|January 19, 2018
Molecular Mechanisms in the Selectivity of Nonsteroidal Anti-Inflammatory DrugsYasmin Shamsudin, Hugo Gutiérrez-de-Terán, Johan Åqvist
Chemical Communications (Cambridge, England)|January 31, 2015
Free energy calculations of A(2A) adenosine receptor mutation effects on agonist bindingHenrik Keränen, Johan Åqvist, Hugo Gutiérrez-de-Terán
Journal of Computational Chemistry|August 1, 2012
Computational prediction of monosaccharide binding free energies to lectins with linear interaction energy modelsSushil Kumar Mishra, Johan Sund, Johan Åqvist, et al.
Journal of Chemical Theory and Computation|April 17, 2026
Thermodynamic Activation Parameters for Chemical Reactions in Enzymes and Solution from Computer Simulations at a Single TemperatureFlorian van der Ent, Andrey O Demkiv, Johan Åqvist
Scientific Reports|December 18, 2019
Towards Rational Computational Engineering of Psychrophilic EnzymesJaka Sočan, Geir Villy Isaksen, Bjørn Olav Brandsdal, et al.
Journal of Cheminformatics|April 4, 2019
QligFEP: an automated workflow for small molecule free energy calculations in QWillem Jespers, Mauricio Esguerra, Johan Åqvist, et al.
Accounts of Chemical Research|February 8, 2017
Entropy and Enzyme CatalysisJohan Åqvist, Masoud Kazemi, Geir Villy Isaksen, et al.
Journal of Chemical Information and Modeling|May 3, 2014
Toward an optimal docking and free energy calculation scheme in ligand design with application to COX-1 inhibitorsYasmin Shamsudin, Hugo Gutiérrez-de-Terán, Lars Boukharta, et al.
Pageof 9

Showing results (31-40 of 84) with videos related to

Sort By:
Pageof 9
Biochemistry|December 16, 2016
Thermodynamics of the Purine Nucleoside Phosphorylase Reaction Revealed by Computer SimulationsGeir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal
Plos One|October 7, 2014
Structural and energetic effects of A2A adenosine receptor mutations on agonist and antagonist bindingHenrik Keränen, Hugo Gutiérrez-de-Terán, Johan Åqvist
Biochemistry|January 19, 2018
Molecular Mechanisms in the Selectivity of Nonsteroidal Anti-Inflammatory DrugsYasmin Shamsudin, Hugo Gutiérrez-de-Terán, Johan Åqvist
Chemical Communications (Cambridge, England)|January 31, 2015
Free energy calculations of A(2A) adenosine receptor mutation effects on agonist bindingHenrik Keränen, Johan Åqvist, Hugo Gutiérrez-de-Terán
Journal of Computational Chemistry|August 1, 2012
Computational prediction of monosaccharide binding free energies to lectins with linear interaction energy modelsSushil Kumar Mishra, Johan Sund, Johan Åqvist, et al.
Journal of Chemical Theory and Computation|April 17, 2026
Thermodynamic Activation Parameters for Chemical Reactions in Enzymes and Solution from Computer Simulations at a Single TemperatureFlorian van der Ent, Andrey O Demkiv, Johan Åqvist
Scientific Reports|December 18, 2019
Towards Rational Computational Engineering of Psychrophilic EnzymesJaka Sočan, Geir Villy Isaksen, Bjørn Olav Brandsdal, et al.
Journal of Cheminformatics|April 4, 2019
QligFEP: an automated workflow for small molecule free energy calculations in QWillem Jespers, Mauricio Esguerra, Johan Åqvist, et al.
Accounts of Chemical Research|February 8, 2017
Entropy and Enzyme CatalysisJohan Åqvist, Masoud Kazemi, Geir Villy Isaksen, et al.
Journal of Chemical Information and Modeling|May 3, 2014
Toward an optimal docking and free energy calculation scheme in ligand design with application to COX-1 inhibitorsYasmin Shamsudin, Hugo Gutiérrez-de-Terán, Lars Boukharta, et al.
Pageof 9