Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by Free Energy simulations

Zenodo (CERN European Organization for Nuclear Research)

Abstract

Raw data for the publication Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by Free Energy simulations, figure 4 and figure 5. (preprint: https://doi.org/10.1101/2021.06.09.447724)

Authors 6

1. Willem Jespers Aachen Drug Discovery and Safety Leiden Academic Centre for Drug Research

   Leiden University

   Affiliation as printed

   Drug Discovery and Safety, Leiden Academic Centre for Drug Research

2. Adriaan P. IJzerman Aachen Drug Discovery and Safety Leiden Academic Centre for Drug Research

   Leiden University

   Affiliation as printed

   Drug Discovery and Safety, Leiden Academic Centre for Drug Research

3. Eddy Sotelo

   Universidade de Santiago de Compostela

   Affiliation as printed

   Departamento de Química Orgánica, Facultade de Farmacia. Universidade de Santiago de Compostela

4. Gerard J. P. van Westen Aachen Drug Discovery and Safety Leiden Academic Centre for Drug Research

   Leiden University

   Affiliation as printed

   Drug Discovery and Safety, Leiden Academic Centre for Drug Research

5. Åqvist
   Affiliation as printed

   Johan

6. Hugo Gutiérrez‐de‐Terán

   Uppsala University

   Affiliation as printed

   Department of Cell and Molecular Biology, Uppsala University