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2020 – today
- 2023
[j7]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): 5056-5065 (2023)
2010 – 2019
- 2019
- [j6]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) - 2016
- [j5]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) - 2015
- [j4]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) - 2012
- [j3]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) - 2011
- [j2]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)
2000 – 2009
- 2009
- [j1]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): 1961-1972 (2009)
Coauthor Index
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