Enrichment Factor Analyses on G-Protein Coupled Receptors with Known Crystal Structure. - Andrew Anighoro; Giulio Rastelli (J. Chem. Inf. Model., 2013)

Computational Polypharmacology Analysis of the Heat Shock Protein 90 Interactome. - Andrew Anighoro; Dagmar Stumpfe; Kathrin Heikamp; Kristin Beebe; Leonard M. Neckers; Jürgen Bajorath; Giulio Rastelli (J. Chem. Inf. Model., 2015)

Binding mode similarity measures for ranking of docking poses: a case study on the adenosine A2A receptor. - Andrew Anighoro; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2016)

Predicting bioactive conformations and binding modes of macrocycles. - Andrew Anighoro; Antonio de la Vega de León; Jürgen Bajorath (J. Comput. Aided Mol. Des., 2016)

Three-Dimensional Similarity in Molecular Docking: Prioritizing Ligand Poses on the Basis of Experimental Binding Modes. - Andrew Anighoro; Jürgen Bajorath (J. Chem. Inf. Model., 2016)

Learning protein-ligand binding affinity with atomic environment vectors. - Rocco Meli; Andrew Anighoro; Michael J. Bodkin; Garrett M. Morris; Philip C. Biggin (J. Cheminformatics, 2021)

RECOVER: sequential model optimization platform for combination drug repurposing identifies novel synergistic compounds in vitro. - Paul Bertin; Jarrid Rector-Brooks; Deepak Sharma; Thomas Gaudelet; Andrew Anighoro; Torsten Gross; Francisco Martinez-Pena; Eileen L. Tang; Suraj M. S; Cristian Regep; Jeremy B. R. Hayter; Maksym Korablyov; et al. (CoRR, 2022)