Davide Provasi

According to our database, Davide Provasi authored at least 7 papers between 2009 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

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., August, 2023

2019

Kinetic and thermodynamic insights into sodium ion translocation through the μ-opioid receptor from molecular dynamics and machine learning analysis.

Xiaohu Hu, Yibo Wang, Amanda Hunkele, Davide Provasi, Gavril W. Pasternak, Marta Filizola

PLoS Comput. Biol., 2019

2016

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

2015

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

2012

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

2011

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

2009

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, Fabio Pietrucci, Ricardo A. Broglia, Michele Parrinello

Comput. Phys. Commun., 2009