Metadynamics-Based Approaches for Modeling the Hypoxia-Inducible Factor 2α Ligand Binding Process

Autor Callea, Lara, Bonati, Laura, Motta, Stefano
Vydáno v J Chem Theory Comput (2021)

Reconstruction of ARNT PAS-B Unfolding Pathways by Steered Molecular Dynamics and Artificial Neural Networks

Autor Motta, Stefano, Pandini, Alessandro, Fornili, Arianna, Bonati, Laura
Vydáno v J Chem Theory Comput (2021)

Molecular modeling of the AhR structure and interactions can shed light on ligand-dependent activation and transformation mechanisms

Autor Bonati, Laura, Corrada, Dario, Tagliabue, Sara Giani, Motta, Stefano
Vydáno v Curr Opin Toxicol (2017)

Exploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods

Autor Motta, Stefano, Callea, Lara, Giani Tagliabue, Sara, Bonati, Laura
Vydáno v Sci Rep (2018)

Transitional States in Ligand-Dependent Transformation of the Aryl Hydrocarbon Receptor into Its DNA-Binding Form

Autor Soshilov, Anatoly A., Motta, Stefano, Bonati, Laura, Denison, Michael S.
Vydáno v Int J Mol Sci (2020)

Ligand-induced perturbation of the HIF-2α:ARNT dimer dynamics

Autor Motta, Stefano, Minici, Claudia, Corrada, Dario, Bonati, Laura, Pandini, Alessandro
Vydáno v PLoS Comput Biol (2018)

Crítica à “ampliação da democracia” como caminho ao socialismo /

Autor Motta, Stefano, Iasi, Mauro Luís, Universidade Federal do Rio de Janeiro.
Vydáno 2016

Modeling the binding of diverse ligands within the Ah receptor ligand binding domain

Autor Giani Tagliabue, Sara, Faber, Samantha C., Motta, Stefano, Denison, Michael S., Bonati, Laura
Vydáno v Sci Rep (2019)

Dopamine-Decorated TiO(2) Nanoparticles in Water: A QM/MM vs an MM Description

Autor Siani, Paulo, Motta, Stefano, Ferraro, Lorenzo, Dohn, Asmus O., Di Valentin, Cristiana
Vydáno v J Chem Theory Comput (2020)

Insights Into the Binding Mechanism of GC7 to Deoxyhypusine Synthase in Sulfolobus solfataricus: A Thermophilic Model for the Design of New Hypusination Inhibitors

Autor D'Agostino, Mattia, Motta, Stefano, Romagnoli, Alice, Orlando, Patrick, Tiano, Luca, La Teana, Anna, Di Marino, Daniele
Vydáno v Front Chem (2020)

Population Dynamics and Structural Effects at Short and Long Range Support the Hypothesis of the Selective Advantage of the G614 SARS-CoV-2 Spike Variant

Autor Trucchi, Emiliano, Gratton, Paolo, Mafessoni, Fabrizio, Motta, Stefano, Cicconardi, Francesco, Mancia, Filippo, Bertorelle, Giorgio, D’Annessa, Ilda, Di Marino, Daniele
Vydáno v Mol Biol Evol (2021)