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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 Åqvist
Journal of the American Chemical Society|January 13, 2022
Effect of Environmental Factors on the Catalytic Activity of Intramembrane Serine ProteaseMojgan Asadi, Gabriel Oanca, Arieh Warshel
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.
The Journal of Physical Chemistry. B|June 6, 2020
Exploring the Proteolysis Mechanism of the ProteasomesArjun Saha, Gabriel Oanca, Dibyendu Mondal, et al.
European Journal of Pharmacology|June 7, 2017
Multiscale simulation of monoamine oxidase catalyzed decomposition of phenylethylamine analogsGabriel Oanca, Jernej Stare, Robert Vianello, et al.
Journal of Chemical Theory and Computation|August 25, 2023
Efficient Empirical Valence Bond Simulations with GROMACSGabriel Oanca, Florian van der Ent, Johan Åqvist
The Journal of Physical Chemistry. B|December 2, 2020
Exploring the Catalytic Reaction of Cysteine ProteasesGabriel Oanca, Mojgan Asadi, Arjun Saha, et al.
Physical Chemistry Chemical Physics : PCCP|April 29, 2016
Insights into enzyme point mutation effect by molecular simulation: phenylethylamine oxidation catalyzed by monoamine oxidase AGabriel Oanca, Miha Purg, Janez Mavri, 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.
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