Johan Åqvist

Binding affinity prediction with different force fields: Examination of the linear interaction energy method

Martin Almlöf, Bjørn Olav Brandsdal, Johan Åqvist · Journal of Computational Chemistry · 2004 · 146 citations

A computational study of ion binding and protonation states in the KcsA potassium channel

Victor B. Luzhkov, Johan Åqvist · Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology · 2000 · 76 citations

Kcsa Potassium Channel, Physics, Natural Sciences +12

Probing the Effect of Point Mutations at Protein-Protein Interfaces with Free Energy Calculations

Martin Almlöf, Johan Åqvist, Arne O. Smalås et al. · Biophysical Journal · 2005 · 63 citations · Full text

Protein-protein Interfaces, Point Mutations, Protein Assembly +8

C2-Symmetric inhibitors of Plasmodium falciparum plasmepsin II: synthesis and theoretical predictions

Karolina Ersmark, Isabella Feierberg, Sinisa Bjelic et al. · Bioorganic & Medicinal Chemistry · 2003 · 50 citations

Medicinal Chemistry, Biochemistry, C2-symmetric Inhibitors +9

Computational modelling of inhibitor binding to human thrombin

Kajsa Ljungberg, John Marelius, Djordje Müsil et al. · European Journal of Pharmaceutical Sciences · 2001 · 47 citations

Engineering, Hematology, Human Thrombin +6