New molecular shape descriptors: Application in database screening. - Andrew C. Good; Todd J. A. Ewing; Daniel A. Gschwend; Irwin D. Kuntz (J. Comput. Aided Mol. Des., 1995)

Orientational sampling and rigid-body minimization in molecular docking revisited: On-the-fly optimization and degeneracy removal. - Daniel A. Gschwend; Irwin D. Kuntz (J. Comput. Aided Mol. Des., 1996)

ArQiologist: An Integrated Decision Support Tool for Lead Optimization. - Atipat Rojnuckarin; Daniel A. Gschwend; Sergio H. Rotstein; David S. Hartsough (J. Chem. Inf. Model., 2005)