Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases. - Leen Kalash; Cristina Val; Jhonny Azuaje; María Isabel Loza; Fredrik Svensson; Azedine Zoufir; Lewis H. Mervin; Graham Ladds; José M. Brea; Robert C. Glen; Eddy Sotelo; Andreas Bender 002 (J. Cheminformatics, 2017)

Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist Using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis. - Panagiotis Lagarias; Kerry Barkan; Eva Tzortzini; Margarita Stampelou; Eleni Vrontaki; Graham Ladds; Antonios Kolocouris (J. Chem. Inf. Model., 2019)

Correction to Insights to the Binding of a Selective Adenosine A3 Receptor Antagonist using Molecular Dynamic Simulations, MM-PBSA and MM-GBSA Free Energy Calculations, and Mutagenesis. - Panagiotis Lagarias; Kerry Barkan; Eva Tzortzini; Margarita Stampelou; Eleni Vrontaki; Graham Ladds; Antonios Kolocouris (J. Chem. Inf. Model., 2020)

Structure-based identification of dual ligands at the A2AR and PDE10A with anti-proliferative effects in lung cancer cell-lines. - Leen Kalash; Ian Winfield; Dewi Safitri; Marcel Bermudez; Sabrina Carvalho; Robert C. Glen; Graham Ladds; Andreas Bender 002 (J. Cheminformatics, 2021)

Multisite Model of Allosterism for the Adenosine A1 Receptor. - Giuseppe Deganutti; Kerry Barkan; Graham Ladds; Christopher A. Reynolds (J. Chem. Inf. Model., 2021)