Ripphausen P, Nisius B, Wawer M, Bajorath J. Rationalizing the role of SAR tolerance for ligand-based virtual screening. J Chem Inf Model. 2011;51(4):837-42. doi:10.1021/ci200064c.
Weiss GA, Collins EJ, Garboczi DN, Wiley DC, Schreiber SL. A tricyclic ring system replaces the variable regions of peptides presented by three alleles of human MHC class I molecules. Chem Biol. 1995;2(6):401-7.
Wawer M, Peltason L, Weskamp N, Teckentrup A, Bajorath J. Structure-activity relationship anatomy by network-like similarity graphs and local structure-activity relationship indices. J Med Chem. 2008;51(19):6075-84. doi:10.1021/jm800867g.
Chan AI, McGregor LM, Jain T, Liu DR. Discovery of a Covalent Kinase Inhibitor from a DNA-Encoded Small-Molecule Library × Protein Library Selection. J Am Chem Soc. 2017;139(30):10192-10195. doi:10.1021/jacs.7b04880.
Feng S, Chen JK, Yu H, Simon JA, Schreiber SL. Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science. 1994;266(5188):1241-7.
Natividad JM, Agus A, Planchais J, et al. Impaired Aryl Hydrocarbon Receptor Ligand Production by the Gut Microbiota Is a Key Factor in Metabolic Syndrome. Cell Metab. 2018;28(5):737-749.e4. doi:10.1016/j.cmet.2018.07.001.