Suitability of density functional methods for calculation of electrostatic properties. - Robert Soliva; Modesto Orozco; F. Javier Luque (J. Comput. Chem., 1997)

Comparison of Active Centers of Proteins: The Kinesin Family as a Test Case. - Antoni Valencia; Martín Pérez; Adam Hospital; Joan Carles Fernández; Elena Manresa; Robert Soliva; Josep Lluis Gelpí; Modesto Orozco (Spanish Bioinformatics Conference, 2004)

Computational Prediction of HIV-1 Resistance to Protease Inhibitors. - Ali Hosseini; Andreu Alibés; Marc Noguera-Julian; Víctor A. Gil; Roger Paredes; Robert Soliva; Modesto Orozco; Victor Guallar (J. Chem. Inf. Model., 2016)

Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca2+ Channel α2δ-1 Subunit as a Test Case. - Martin Kotev; Rosalia Pascual; Carmen Almansa; Victor Guallar; Robert Soliva (J. Chem. Inf. Model., 2018)

Extensive benchmark of rDock as a peptide-protein docking tool. - Daniel Soler; Yvonne Westermaier; Robert Soliva (J. Comput. Aided Mol. Des., 2019)

FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-To-Lead Drug Design. - Carles Perez; Daniel Soler; Robert Soliva; Victor Guallar (J. Chem. Inf. Model., 2020)

High-Throughput Prediction of the Impact of Genetic Variability on Drug Sensitivity and Resistance Patterns for Clinically Relevant Epidermal Growth Factor Receptor Mutations from Atomistic Simulations. - Aristarc Suriñach; Adam Hospital; Yvonne Westermaier; Luis Jordà; Sergi Orozco-Ruiz; Daniel Beltrán; Francesco Colizzi; Pau Andrio; Robert Soliva; Martí Municoy; Josep Lluis Gelpí; Modesto Orozco (J. Chem. Inf. Model., 2023)