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Journal of Molecular Graphics & Modelling|June 17, 2015
Qgui: A high-throughput interface for automated setup and analysis of free energy calculations and empirical valence bond simulations in biological systemsGeir Villy Isaksen, Tor Arne Heim Andberg, Johan Åqvist, et al.Biochemistry|May 5, 2018
Catalytic Adaptation of Psychrophilic ElastaseJaka Sočan, Masoud Kazemi, Geir Villy Isaksen, et al.Journal of Chemical Information and Modeling|March 10, 2011
Computational prediction of structure-activity relationships for the binding of aminocyclitols to β-glucocerebrosidaseLucía Díaz, Jordi Bujons, Antonio Delgado, et al.Chemistry & Biology|August 28, 2012
A Role for the 2' OH of peptidyl-tRNA substrate in peptide release on the ribosome revealed through RF-mediated rescueJeffrey J Shaw, Stefan Trobro, Shan L He, et al.Bioorganic & Medicinal Chemistry Letters|January 27, 2016
Structural determinants of subtype selectivity and functional activity of angiotensin II receptorsJessica Sallander, Charlotta Wallinder, Anders Hallberg, et al.Biochemistry|June 30, 2021
Transition States for Psychrophilic and Mesophilic (R)-3-Hydroxybutyrate Dehydrogenase-Catalyzed Hydride Transfer at Sub-zero TemperaturesTeresa F G Machado, Miha Purg, Johan Åqvist, et al.The FEBS Journal|March 30, 2026
Discovery of a cryptic aminoacidic triad involved in the temperature adaptation of GH1 enzymesStefania Digiovanni, Gabriel Oanca, Marco Orlando, et al.Journal of the American Chemical Society|July 30, 2016
The Competing Mechanisms of Phosphate Monoester Dianion HydrolysisFernanda Duarte, Alexandre Barrozo, Johan Åqvist, et al.Journal of Chemical Theory and Computation|April 30, 2021
Functional Group Distributions, Partition Coefficients, and Resistance Factors in Lipid Bilayers Using Site Identification by Ligand Competitive SaturationChristoffer Lind, Poonam Pandey, Richard W Pastor, et al.Biomolecules|April 29, 2020
Evolution of Angiotensin Peptides and Peptidomimetics as Angiotensin II Receptor Type 2 (AT2) Receptor AgonistsSilvana Vasile, Anders Hallberg, Jessica Sallander, et al.Pageof 9