Application of Free Energy Perturbation for the Design of BACE1 Inhibitors. - Myriam Ciordia; Laura Pérez-Benito; Francisca Delgado; Andrés A. Trabanco; Gary Tresadern (J. Chem. Inf. Model., 2016)

Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling. - Gary Tresadern; Andrés A. Trabanco; Laura Pérez-Benito; John P. Overington; Herman W. T. van Vlijmen; Gerard J. P. van Westen (J. Chem. Inf. Model., 2017)

The size matters? A computational tool to design bivalent ligands. - Laura Pérez-Benito; Andrew Henry; Minos-Timotheos Matsoukas; Laura Lopez; Daniel Pulido; Miriam Royo; Arnau Cordomí; Gary Tresadern; Leonardo Pardo (Bioinform., 2018)

Mechanisms Underlying Allosteric Molecular Switches of Metabotropic Glutamate Receptor 5. - Claudia Llinas del Torrent; Nil Casajuana-Martin; Leonardo Pardo; Gary Tresadern; Laura Pérez-Benito (J. Chem. Inf. Model., 2019)

Accurate Prediction of GPCR Ligand Binding Affinity with Free Energy Perturbation. - Francesca Deflorian; Laura Pérez-Benito; Eelke B. Lenselink; Miles Congreve; Herman W. T. van Vlijmen; Jonathan S. Mason; Chris de Graaf; Gary Tresadern (J. Chem. Inf. Model., 2020)