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

por Callea, Lara, Bonati, Laura, Motta, Stefano
Publicado en J Chem Theory Comput (2021)

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

por Motta, Stefano, Pandini, Alessandro, Fornili, Arianna, Bonati, Laura
Publicado en J Chem Theory Comput (2021)

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

por Bonati, Laura, Corrada, Dario, Tagliabue, Sara Giani, Motta, Stefano
Publicado en Curr Opin Toxicol (2017)

Exploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods

por Motta, Stefano, Callea, Lara, Giani Tagliabue, Sara, Bonati, Laura
Publicado en Sci Rep (2018)

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

por Soshilov, Anatoly A., Motta, Stefano, Bonati, Laura, Denison, Michael S.
Publicado en Int J Mol Sci (2020)

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

por Motta, Stefano, Minici, Claudia, Corrada, Dario, Bonati, Laura, Pandini, Alessandro
Publicado en PLoS Comput Biol (2018)

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

por Motta, Stefano, Iasi, Mauro Luís, Universidade Federal do Rio de Janeiro.
Publicado 2016

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

por Giani Tagliabue, Sara, Faber, Samantha C., Motta, Stefano, Denison, Michael S., Bonati, Laura
Publicado en Sci Rep (2019)

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

por Siani, Paulo, Motta, Stefano, Ferraro, Lorenzo, Dohn, Asmus O., Di Valentin, Cristiana
Publicado en 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

por D'Agostino, Mattia, Motta, Stefano, Romagnoli, Alice, Orlando, Patrick, Tiano, Luca, La Teana, Anna, Di Marino, Daniele
Publicado en 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

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