PLUMED: A portable plugin for free-energy calculations with molecular dynamics. - Massimiliano Bonomi; Davide Branduardi; Giovanni Bussi; Carlo Camilloni; Davide Provasi; Paolo Raiteri; Davide Donadio; Fabrizio Marinelli 002; Fabio Pietrucci; Ricardo A. Broglia; Michele Parrinello (Comput. Phys. Commun., 2009)

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)

Assessing the Relative Stability of Dimer Interfaces in G Protein-Coupled Receptors. - Jennifer M. Johnston; Hao Wang; Davide Provasi; Marta Filizola (PLoS Comput. Biol., 2012)

Preferred Supramolecular Organization and Dimer Interfaces of Opioid Receptors from Simulated Self-Association. - Davide Provasi; Mustafa Burak Boz; Jennifer M. Johnston; Marta Filizola (PLoS Comput. Biol., 2015)

Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model. - Kristen A. Marino; Diego Prada-Gracia; Davide Provasi; Marta Filizola (PLoS Comput. Biol., 2016)

Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis. - Xiaohu Hu; Yibo Wang 011; Amanda Hunkele; Davide Provasi; Gavril W. Pasternak; Marta Filizola (PLoS Comput. Biol., 2019)

De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework. - Leslie Salas-Estrada; Davide Provasi; Xing Qiu; Husnu Ümit Kaniskan; Xi-Ping Huang; Jeffrey F. Diberto; João Marcelo Lamim Ribeiro; Jian Jin; Bryan L. Roth; Marta Filizola (J. Chem. Inf. Model., 2023)