Johan Åqvist

Ion-water interaction potentials derived from free energy perturbation simulations

Johan Åqvist · The Journal of Physical Chemistry · 1990 · 1.6K citations

Engineering, Chemical Analysis, Altmetric Attention Score +20

A new method for predicting binding affinity in computer-aided drug design

Johan Åqvist, Carmen Medina, Jan-Erik Samuelsson · Protein Engineering Design and Selection · 1994 · 1.2K citations

Molecular dynamics simulations of water and biomolecules with a Monte Carlo constant pressure algorithm

Johan Åqvist, Petra Wennerström, Martin Nervall et al. · Chemical Physics Letters · 2003 · 556 citations

Biophysical Modeling, Engineering, Molecular Biology +9

Ligand binding affinity prediction by linear interaction energy methods

Tomas Hansson, John Marelius, Johan Åqvist · Journal of Computer-Aided Molecular Design · 1998 · 460 citations

Ion permeation mechanism of the potassium channel

Johan Åqvist, Victor B. Luzhkov · Nature · 2000 · 427 citations

Hyperpolarization (Biology), Physiology, Ion Permeation Mechanism +4