Davide Provasi

Publication Activity (10 Years)

Years Active: 2009-2023
Publications (10 Years): 4

Top Topics

Functional Units

Machine Learning

Experimental Data

Weakly Supervised

Top Venues

PLoS Comput. Biol.

J. Chem. Inf. Model.

Publications

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
De Novo Design of κ-Opioid Receptor Antagonists Using a Generative Deep-Learning Framework. J. Chem. Inf. Model. 63 (16) (2023)
Xiaohu Hu, Yibo Wang, Amanda Hunkele, Davide Provasi, Gavril W. Pasternak, Marta Filizola
Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis. PLoS Comput. Biol. 15 (1) (2019)
Kristen A. Marino, Diego Prada-Gracia, Davide Provasi, Marta Filizola
Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model. PLoS Comput. Biol. 12 (12) (2016)
Davide Provasi, Mustafa Burak Boz, Jennifer M. Johnston, Marta Filizola
Preferred Supramolecular Organization and Dimer Interfaces of Opioid Receptors from Simulated Self-Association. PLoS Comput. Biol. 11 (3) (2015)
Jennifer M. Johnston, Hao Wang, Davide Provasi, Marta Filizola
Assessing the Relative Stability of Dimer Interfaces in G Protein-Coupled Receptors. PLoS Comput. Biol. 8 (8) (2012)
Davide Provasi, Marta Camacho-Artacho, Ana Negri, Juan Carlos Mobarec, Marta Filizola
Ligand-Induced Modulation of the Free-Energy Landscape of G Protein-Coupled Receptors Explored by Adaptive Biasing Techniques. PLoS Comput. Biol. 7 (10) (2011)
Massimiliano Bonomi, Davide Branduardi, Giovanni Bussi, Carlo Camilloni, Davide Provasi, Paolo Raiteri, Davide Donadio, Fabrizio Marinelli, Fabio Pietrucci, Ricardo A. Broglia, Michele Parrinello
PLUMED: A portable plugin for free-energy calculations with molecular dynamics. Comput. Phys. Commun. 180 (10) (2009)