Computational prediction of alanine scanning and ligand binding energetics in G-protein coupled receptors.

by Lars Boukharta, Hugo Gutiérrez-de-Terán, Johan Aqvist
Published 2014

Structural and energetic effects of A2A adenosine receptor mutations on agonist and antagonist binding.

by Henrik Keränen, Hugo Gutiérrez-de-Terán, Johan Åqvist
Published 2014

Identification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagonist recognition

by Xuesong Wang, Willem Jespers, Rubén Prieto-Díaz, Maria Majellaro, Adriaan P. IJzerman, Gerard J. P. van Westen, Eddy Sotelo, Laura H. Heitman, Hugo Gutiérrez-de-Terán
Published 2021

The GPR139 reference agonists 1a and 7c, and tryptophan and phenylalanine share a common binding site

by Anne Cathrine Nøhr, Willem Jespers, Mohamed A. Shehata, Leonard Floryan, Vignir Isberg, Kirsten Bayer Andersen, Johan Åqvist, Hugo Gutiérrez-de-Terán, Hans Bräuner-Osborne, David E. Gloriam
Published 2017