Comparison of the Molecular Mechanics+Generalized Born/Surface Area and the Ab Initio+Monte Carlo Simulation Methods in Estimating Conformational Equilibria in Aqueous Solution. - Peter I. Nagy; Joseph E. Bitar; Douglas A. Smith (J. Comput. Chem., 1994)

Molecular Shape and QSAR Analyses of a Family of Substituted Dichlorodiphenyl Aromatase Inhibitors. - Peter I. Nagy; John Tokarski; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1994)

Nanotubes: Number of Kekulé Structures and Aromaticity. - István Lukovits; Ante Graovac; Erika Kálmán; György Kaptay; Peter I. Nagy; Sonja Nikolic; Jaroslav Sytchev; Nenad Trinajstic (J. Chem. Inf. Comput. Sci., 2003)