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Proceedings of the National Academy of Sciences of the United States of America|June 30, 2016
Enzyme surface rigidity tunes the temperature dependence of catalytic ratesGeir Villy Isaksen, Johan Åqvist, Bjørn Olav Brandsdal
Nucleic Acids Research|May 11, 2018
Mechanistic alternatives for peptide bond formation on the ribosomeMasoud Kazemi, Jaka Socan, Fahmi Himo, et al.
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
Nature Communications|December 20, 2013
Codon-reading specificities of mitochondrial release factors and translation termination at non-standard stop codonsChristoffer Lind, Johan Sund, Johan Aqvist
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.
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