Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

Willem Jespers, Laura H. Heitman, Adriaan P. IJzerman, Eddy Sotelo, Gerard J. P. van Westen, Johan Åqvist, Hugo Gutiérrez-de-Terán. Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations. PLoS Computational Biology, 17(11), 2021. [doi]

Authors

Willem Jespers

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Laura H. Heitman

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Adriaan P. IJzerman

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Eddy Sotelo

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Gerard J. P. van Westen

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Johan Åqvist

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Hugo Gutiérrez-de-Terán

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