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Biophysical Journal|May 9, 2014
Permeation redux: thermodynamics and kinetics of ion movement through potassium channelsRichard Horn, Benoît Roux, Johan ÅqvistScientific Reports|October 27, 2015
Exceptionally large entropy contributions enable the high rates of GTP hydrolysis on the ribosomeJohan Åqvist, Shina C L KamerlinBiochemistry|September 25, 2020
Hidden Conformational States and Strange Temperature Optima in Enzyme CatalysisJohan Åqvist, Jaka Sočan, Miha PurgJournal of Chemical Theory and Computation|September 12, 2022
Calculation of Heat Capacity Changes in Enzyme Catalysis and Ligand BindingJohan Åqvist, Florian van der EntPlos Computational Biology|August 29, 2014
Protein surface softness is the origin of enzyme cold-adaptation of trypsinGeir Villy Isaksen, Johan Åqvist, Bjørn Olav BrandsdalJournal of Chemical Theory and Computation|August 25, 2023
Efficient Empirical Valence Bond Simulations with GROMACSGabriel Oanca, Florian van der Ent, Johan ÅqvistBiochemistry|March 18, 2017
Probing the Time Dependency of Cyclooxygenase-1 Inhibitors by Computer SimulationsYasmin Shamsudin, Hugo Gutiérrez-de-Terán, Johan ÅqvistJournal of Chemical Theory and Computation|November 27, 2015
Charges for Large Scale Binding Free Energy Calculations with the Linear Interaction Energy MethodGöran Wallin, Martin Nervall, Jens Carlsson, et al.The 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.Methods in Molecular Biology (Clifton, N.J.)|March 24, 2021
Free Energy Calculations for Protein-Ligand Binding PredictionWillem Jespers, Johan Åqvist, Hugo Gutiérrez-de-TeránPageof 9