Molecular Modeling Studies of Human A3 Adenosine Antagonists: Structural Homology and Receptor Docking. - Stefano Moro; An-Hu Li; Kenneth A. Jacobson (J. Chem. Inf. Comput. Sci., 1998)

Defining the nucleotide binding sites of P2Y receptors using rhodopsin-based homology modeling. - Andrei A. Ivanov; Stefano Costanzi; Kenneth A. Jacobson (J. Comput. Aided Mol. Des., 2006)

Three-Dimensional Quantitative Structure-Activity Relationship of Nucleosides Acting at the A3 Adenosine Receptor: Analysis of Binding and Relative Efficacy. - Soo-Kyung Kim; Kenneth A. Jacobson (J. Chem. Inf. Model., 2007)

Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands. - Stefano Costanzi; Irina G. Tikhonova; T. Kendall Harden; Kenneth A. Jacobson (J. Comput. Aided Mol. Des., 2009)

Comparison of three GPCR structural templates for modeling of the P2Y12 nucleotide receptor. - Francesca Deflorian; Kenneth A. Jacobson (J. Comput. Aided Mol. Des., 2011)

Modeling ligand recognition at the P2Y12 receptor in light of X-ray structural information. - Silvia Paoletta; Davide Sabbadin; Ivar von Kügelgen; Sonja Hinz; Vsevolod Katritch; Kristina Hoffmann; Aliaa Abdelrahman; Jens Straßburger; Younis Baqi; Qiang Zhao; Raymond C. Stevens; Stefano Moro; et al. (J. Comput. Aided Mol. Des., 2015)

Molecular Docking Screening Using Agonist-Bound GPCR Structures: Probing the A2A Adenosine Receptor. - David Rodríguez 003; Zhang-Guo Gao; Steven M. Moss; Kenneth A. Jacobson; Jens Carlsson (J. Chem. Inf. Model., 2015)

Demystifying P2Y1 Receptor Ligand Recognition through Docking and Molecular Dynamics Analyses. - Antonella Ciancetta; Robert D. O'Connor; Silvia Paoletta; Kenneth A. Jacobson (J. Chem. Inf. Model., 2017)

A3 adenosine receptor activation mechanisms: molecular dynamics analysis of inactive, active, and fully active states. - Antonella Ciancetta; Priscila Rubio; David I. Lieberman; Kenneth A. Jacobson (J. Comput. Aided Mol. Des., 2019)