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Journal of Chemical Theory and Computation|March 7, 2024
Why Do Empirical Valence Bond Simulations Yield Accurate Arrhenius Plots?Gabriel Oanca, Johan ÅqvistThe Journal of Physical Chemistry. B|November 24, 2025
l-DOPA-Containing Protein Autoxidation: An Empirical Valence Bond Simulation of the Rate-Limiting StepGabriel Oanca, Alja Prah, Johan Åqvist, et al.Journal of Chemical Theory and Computation|August 25, 2023
Efficient Empirical Valence Bond Simulations with GROMACSGabriel Oanca, Florian van der Ent, Johan ÅqvistThe 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.Nature Communications|June 2, 2015
Chemical reaction mechanisms in solution from brute force computational Arrhenius plotsMasoud Kazemi, Johan ÅqvistMolecular Biology and Evolution|April 28, 2023
Principles of Cold Adaptation of Fish Lactate Dehydrogenases Revealed by Computer Simulations of the Catalytic ReactionLucien Koenekoop, Johan ÅqvistNucleic Acids Research|June 10, 2016
Principles of start codon recognition in eukaryotic translation initiationChristoffer Lind, Johan ÅqvistNucleic Acids Research|October 30, 2014
Why base tautomerization does not cause errors in mRNA decoding on the ribosomePriyadarshi Satpati, Johan ÅqvistJournal of Chemical Theory and Computation|June 13, 2024
Computational Analysis of Heat Capacity Effects in Protein-Ligand BindingLucien Koenekoop, Johan ÅqvistPageof 9