Replacement of steric 6-12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency. - Romano T. Kroemer; Peter Hecht (J. Comput. Aided Mol. Des., 1995)

A new procedure for improving the predictiveness of CoMFA models and its application to a set of dihydrofolate reductase inhibitors. - Romano T. Kroemer; Peter Hecht (J. Comput. Aided Mol. Des., 1995)

Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials. - Romano T. Kroemer; Peter Hecht; Klaus R. Liedl (J. Comput. Chem., 1996)

Alignment of molecules by the Monte Carlo optimization of molecular similarity indices. - Martin F. Parretti; Romano T. Kroemer; Jeffrey H. Rothman; W. Graham Richards (J. Comput. Chem., 1997)

Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms. - Fabrizio Giordanetto; Simona Cotesta; Cornel Catana; Jean-Yves Trosset; Anna Vulpetti; Pieter F. W. Stouten; Romano T. Kroemer (J. Chem. Inf. Model., 2004)

Assessment of Docking Poses: Interactions-Based Accuracy Classification (IBAC) versus Crystal Structure Deviations. - Romano T. Kroemer; Anna Vulpetti; Joseph J. McDonald; Douglas C. Rohrer; Jean-Yves Trosset; Fabrizio Giordanetto; Simona Cotesta; Colin McMartin; Mats Kihlén; Pieter F. W. Stouten (J. Chem. Inf. Model., 2004)

Large-Scale Comparison of Four Binding Site Detection Algorithms. - Peter Schmidtke; Catherine Souaille; Frédéric Estienne; Nicolas Baurin; Romano T. Kroemer (J. Chem. Inf. Model., 2010)

Engineering Protein Therapeutics: Predictive Performances of a Structure-Based Virtual Affinity Maturation Protocol. - Michael Oberlin; Romano T. Kroemer; Vincent Mikol; Hervé Minoux; Erdogan Tastan; Nicolas Baurin (J. Chem. Inf. Model., 2012)