The Local Minima Method (LMM) of Pharmacophore Determination: A Protocol for Predicting the Bioactive Conformation of Small, Conformationally Flexible Molecules. - David A. Demeter; Herschel J. R. Weintraub; James J. Knittel (J. Chem. Inf. Comput. Sci., 1998)

From UK-2A to florylpicoxamid: Active learning to identify a mimic of a macrocyclic natural product. - Ann E. Cleves; Ajay N. Jain; David A. Demeter; Zachary A. Buchan; Jeremy Wilmot; Erin N. Hancock (J. Comput. Aided Mol. Des., 2024)