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Discover of Novel Adenosine Receptor Antagonists through a Combined Structure-and Ligand-Based Approach Followed by Molecular Dynamics Investigation of Ligand Binding Mode

Citation:

Lagarias, P. ; Lambrinidis, G. ; Stamatis, D. ; Conventino, M. ; Ortore, G. ; Mavromoustakos, T. ; Klotz, N. K. ; Kolocouris, A. Discover Of Novel Adenosine Receptor Antagonists Through A Combined Structure-And Ligand-Based Approach Followed By Molecular Dynamics Investigation Of Ligand Binding Mode. J. Chem. Inf. Model. 2018, 58, 794–815 .