MOTTA, STEFANO
MOTTA, STEFANO
DIPARTIMENTO DI SCIENZE DELL'AMBIENTE E DELLA TERRA (DEPARTMENT OF EARTH AND ENVIRONMENTAL SCIENCES - DISAT)
Design of gliadin peptide analogues with low affinity for the celiac disease associated HLA–DQ2 protein
2014 Fraccalvieri, D; Motta, S; Galliani, G; Cavaletti, L; Bonati, L
Protein dynamics in ligand binding: accelerated molecular dynamics for enhanced sampling of the conformational space.
2015 Motta, S
Conformational selection and induced fit roles in ensemble docking applications
2016 Motta, S; Bonati, L
Molecular modeling of the AhR structure and interactions can shed light on ligand-dependent activation and transformation mechanisms
2017 Bonati, L; Corrada, D; GIANI TAGLIABUE, S; Motta, S
Modeling Binding with Large Conformational Changes: Key Points in Ensemble-Docking Approaches
2017 Motta, S; Bonati, L
Unveiling the inhibition mechanism of HIF-2α:ARNT dimerization by protein dynamics investigation
2017 Motta, S; Minici, L; Pandini, A; Bonati, L
Ligand-induced perturbation of the HIF-2α:ARNT dimer dynamics
2018 Motta, S; Minici, C; Corrada, D; Bonati, L; Pandini, A
PROTEIN DYNAMICS SIMULATIONS TO INVESTIGATE BIOMOLECULAR INTERACTIONS
2018 Motta, S
Role of dynamics in ligand-protein interactions: modelling of binding to the pregnane x receptor
2018 Callea, L; Motta, S; Giani Tagliabue, S; Bonati, L
Exploring the PXR ligand binding mechanism with advanced Molecular Dynamics methods
2018 Motta, S; Callea, L; Giani Tagliabue, S; Bonati, L
Modeling the binding of diverse ligands within the Ah receptor ligand binding domain
2019 Giani Tagliabue, S; Faber, S; Motta, S; Denison, M; Bonati, L
Modeling of Ligand Binding to the HIF-2α Protein with Enhanced Sampling Methods
2019 Callea, L; Motta, S; Bonati, L
Impact of surface curvature, grafting density and solvent type on the PEGylation of titanium dioxide nanoparticles
2019 Selli, D; Motta, S; Di Valentin, C
Transitional States in Ligand-Dependent Transformation of the Aryl Hydrocarbon Receptor into Its DNA-Binding Form
2020 Soshilov, A; Motta, S; Bonati, L; Denison, M
Insights Into the Binding Mechanism of GC7 to Deoxyhypusine Synthase in Sulfolobus solfataricus: A Thermophilic Model for the Design of New Hypusination Inhibitors
2020 D'Agostino, M; Motta, S; Romagnoli, A; Orlando, P; Tiano, L; La Teana, A; Di Marino, D
NURA: A curated dataset of nuclear receptor modulators
2020 Valsecchi, C; Grisoni, F; Motta, S; Bonati, L; Ballabio, D
Dopamine-Decorated TiO2 Nanoparticles in Water: A QM/MM vs an MM Description
2020 Siani, P; Motta, S; Ferraro, L; Dohn, A; Di Valentin, C
Population dynamics and structural effects at short and long range support the hypothesis of the selective advantage of the G614 SARS-Cov2 spike variant
2021 Trucchi, E; Gratton, P; Mafessoni, F; Motta, S; Cicconardi, F; Mancia, F; Bertorelle, G; D’Annessa, I; Di Marino, D
A Neural Network Approach for the Identification of Pathways in Molecular Dynamics Simulations of Ligand Binding
2021 Motta, S; Callea, L; Bonati, L; Pandini, A
Exploring the drug loading mechanism of photoactive inorganic nanocarriers through molecular dynamics simulations
2021 Motta, S; Siani, P; Levy, A; Di Valentin, C