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Biochemistry|July 13, 2010
Lessons from free energy simulations of delta-opioid receptor homodimers involving the fourth transmembrane helixDavide Provasi, Jennifer M Johnston, Marta FilizolaBiophysical Journal|November 3, 2019
Mechanism of μ-Opioid Receptor-Magnesium Interaction and Positive Allosteric ModulationXiaohu Hu, Davide Provasi, Steven Ramsey, et al.Biopolymers|April 9, 2013
Bioactive conformations of two seminal delta opioid receptor penta-peptides inferred from free-energy profilesGuido Scarabelli, Davide Provasi, Ana Negri, et al.The Journal of Chemical Physics|October 2, 2020
A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G protein-coupled receptorsJoão Marcelo Lamim Ribeiro, Davide Provasi, Marta FilizolaPlos Computational Biology|August 24, 2012
Assessing the relative stability of dimer interfaces in g protein-coupled receptorsJennifer M Johnston, Hao Wang, Davide Provasi, et al.Proteins|March 29, 2014
Talin-driven inside-out activation mechanism of platelet αIIbβ3 integrin probed by multimicrosecond, all-atom molecular dynamics simulationsDavide Provasi, Ana Negri, Barry S Coller, et al.Proteins|May 21, 2009
Targeted molecular dynamics reveals overall common conformational changes upon hybrid domain swing-out in beta3 integrinsDavide Provasi, Marta Murcia, Barry S Coller, et al.Plos Computational Biology|December 14, 2016
Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane ModelKristen A Marino, Diego Prada-Gracia, Davide Provasi, et al.Plos Computational Biology|March 31, 2015
Preferred supramolecular organization and dimer interfaces of opioid receptors from simulated self-associationDavide Provasi, Mustafa Burak Boz, Jennifer M Johnston, et al.Biorxiv : the Preprint Server for Biology|August 13, 2025
BOLD-GPCRs: A Transformer-Powered App for Predicting Ligand Bioactivity and Mutational Effects Across Class A GPCRsDavide Provasi, Kirill Konovalov, Nicholas Riina, et al.Pageof 13