Johan Åqvist

33PUBLICATIONS
44CO-AUTHORS
Chemical thermodynamics and energeticsEcological impacts of climate change and ecological adaptationComputational chemistryPharmacogenomicsBiomolecular modelling and design
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (33)

|Apr 17, 2026
Thermodynamic Activation Parameters for Chemical Reactions in Enzymes and Solution from Computer Simulations at a Single Temperature.

|Mar 30, 2026
Discovery of a cryptic aminoacidic triad involved in the temperature adaptation of GH1 enzymes.

Stefania Digiovanni, Gabriel Oanca, Marco Orlando

|Feb 13, 2026
Doing More with Less: Accurate and Scalable Ligand Free Energy Calculations by Focusing on the Binding Site.

David Alencar Araripe, Alejandro Díaz-Holguín, Antti Poso

|Nov 24, 2025
l-DOPA-Containing Protein Autoxidation: An Empirical Valence Bond Simulation of the Rate-Limiting Step.

Gabriel Oanca, Alja Prah, Johan Åqvist

|Jan 30, 2025
Computer Simulations of the Temperature Dependence of Enzyme Reactions.

Johan Åqvist, Bjørn O Brandsdal

|Jun 13, 2024
Computational Analysis of Heat Capacity Effects in Protein-Ligand Binding.

Lucien Koenekoop, Johan Åqvist

Pageof 6

Frequent Collaborators

11 joint publications

Hugo Gutiérrez-de-Terán

7 joint publications

Bjørn Olav Brandsdal

7 joint publications

Willem Jespers

3 joint publications

Gabriel Oanca