Åqvist J

Deciphering conformational selectivity in the A 2A adenosine G protein-coupled receptor by Free Energy simulations

Jespers W, Heitman LH, IJzerman AP, ..., Åqvist J, Gutiérrez-de-Terán H

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QligFEP: an automated workflow for small molecule free energy calculations in Q.

Jespers W, Esguerra M, Åqvist J, Gutiérrez-de-Terán H

J Cheminform 11 (1) 26 [2019-04-02; online 2019-04-02]

A Series of Analogues to the AT2R Prototype Antagonist C38 Allow Fine Tuning of the Previously Reported Antagonist Binding Mode.

Isaksson R, Lindman J, Wannberg J, ..., Gising J, Larhed M

ChemistryOpen 8 (1) 114-125 [2019-01-00; online 2019-01-24]