Electrostatic solvent effects on the electronic structure of ground and excited states of molecules: Applications of a cavity model based upon a finite element method. - Thomas Fox; Notker Rösch; Randy J. Zauhar (J. Comput. Chem., 1993)

SMART: A solvent-accessible triangulated surface generator for molecular graphics and boundary element applications. - Randy J. Zauhar (J. Comput. Aided Mol. Des., 1995)

A fast and Space-Efficient boundary element method for computing electrostatic and hydration effects in large molecules. - Randy J. Zauhar; Alexandre Varnek (J. Comput. Chem., 1996)

Comparison of Ring Current Methods for Use in Molecular Modeling Refinement of NMR Derived Three-Dimensional Structures. - Guillermo Moyna; Randy J. Zauhar; Howard J. Williams; Ronald J. Nachman; A. I. Scott (J. Chem. Inf. Comput. Sci., 1998)

Enrichment of Ligands for the Serotonin Receptor Using the Shape Signatures Approach. - Karthigeyan Nagarajan; Randy J. Zauhar; William J. Welsh (J. Chem. Inf. Model., 2005)

Modeling Androgen Receptor Flexibility: A Binding Mode Hypothesis of CYP17 Inhibitors/Antiandrogens for Prostate Cancer Therapy. - Eleonora Gianti; Randy J. Zauhar (J. Chem. Inf. Model., 2012)

Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery. - Randy J. Zauhar; Eleonora Gianti; William J. Welsh (J. Comput. Aided Mol. Des., 2013)

An SH2 domain model of STAT5 in complex with phospho-peptides define "STAT5 Binding Signatures". - Eleonora Gianti; Randy J. Zauhar (J. Comput. Aided Mol. Des., 2015)

Computational analysis of EBNA1 "druggability" suggests novel insights for Epstein-Barr virus inhibitor design. - Eleonora Gianti; Troy E. Messick; Paul M. Lieberman; Randy J. Zauhar (J. Comput. Aided Mol. Des., 2016)

A Constraint Programming Approach to Weighted Isomorphic Mapping of Fragment-based Shape Signatures. - Thierry Petit; Randy J. Zauhar (CoRR, 2021)