Database searching on the basis of three-dimensional molecular similarity using the SPERM program. - Nicholas C. Perry; Vincent J. van Geerestein (J. Chem. Inf. Comput. Sci., 1992)

Comparison of two implementations of the incremental construction algorithm in flexible docking of thrombin inhibitors. - Ronald M. A. Knegtel; Denis M. Bayada; Richard A. Engh; Wolfgang von der Saal; Vincent J. van Geerestein; Peter D. J. Grootenhuis (J. Comput. Aided Mol. Des., 1999)

Molecular Diversity and Representativity in Chemical Databases. - Denis M. Bayada; Hans Hamersma; Vincent J. van Geerestein (J. Chem. Inf. Comput. Sci., 1999)

Quantitative Structure-Activity Relationship Studies of Progesterone Receptor Binding Steroids. - Sung-Sau So; Steven P. van Helden; Vincent J. van Geerestein; Martin Karplus (J. Chem. Inf. Comput. Sci., 2000)

Potential Drugs and Nondrugs: Prediction and Identification of Important Structural Features. - Markus Wagener; Vincent J. van Geerestein (J. Chem. Inf. Comput. Sci., 2000)