Ligand-Induced Modulation of the Free-Energy Landscape of G Protein-Coupled Receptors Explored by Adaptive Biasing Techniques. - Davide Provasi; Marta Camacho-Artacho; Ana Negri; Juan Carlos Mobarec; Marta Filizola (PLoS Comput. Biol., 2011)

Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligand. - Ana Negri; Jihong Li; Sarasija Naini; Barry S. Coller; Marta Filizola (J. Comput. Aided Mol. Des., 2012)

Discovery of a Novel Selective Kappa-Opioid Receptor Agonist Using Crystal Structure-Based Virtual Screening. - Ana Negri; Marie-Laure Rives; Michael J. Caspers; Thomas E. Prisinzano; Jonathan A. Javitch; Marta Filizola (J. Chem. Inf. Model., 2013)

Application of Free Energy Perturbation (FEP+) to Understanding Ligand Selectivity: A Case Study to Assess Selectivity Between Pairs of Phosphodiesterases (PDE's). - Francesca Moraca; Ana Negri; Cesar de Oliveira; Robert Abel (J. Chem. Inf. Model., 2019)