Sfoglia per Autore
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin αVβ3 by atomistic molecular dynamics and machine learning
2024 Frigerio, G; Donadoni, E; Siani, P; Vertemara, J; Motta, S; Bonati, L; De Gioia, L; Di Valentin, C
SARS-CoV-2 multi-variant rapid detector based on graphene transistor functionalized with an engineered dimeric ACE2 receptor
2023 Romagnoli, A; D'Agostino, M; Pavoni, E; Ardiccioni, C; Motta, S; Crippa, P; Biagetti, G; Notarstefano, V; Rexha, J; Perta, N; Barocci, S; Costabile, B; Colasurdo, G; Caucci, S; Mencarelli, D; Turchetti, C; Farina, M; Pierantoni, L; La Teana, A; Al Hadi, R; Cicconardi, F; Chinappi, M; Trucchi, E; Mancia, F; Menzo, S; Morozzo Della Rocca, B; D'Annessa, I; Di Marino, D
TCDD-Induced Allosteric Perturbation of the AhR:ARNT Binding to DNA
2023 Motta, S; Bonati, L
Metadynamics simulations for the investigation of drug loading on functionalized inorganic nanoparticles
2023 Motta, S; Siani, P; Donadoni, E; Frigerio, G; Bonati, L; Di Valentin, C
Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells
2023 Donadoni, E; Frigerio, G; Siani, P; Motta, S; Vertemara, J; De Gioia, L; Bonati, L; Di Valentin, C
Structural basis of dimerization of chemokine receptors CCR5 and CXCR4
2023 Di Marino, D; Conflitti, P; Motta, S; Limongelli, V
PathDetect-SOM: A Neural Network Approach for the Identification of Pathways in Ligand Binding Simulations
2022 Motta, S; Callea, L; Bonati, L; Pandini, A
Insight into the Initial Stages of the Folding Process in Onconase Revealed by UNRES
2022 Hendrix, E; Motta, S; Gahl, R; He, Y
Recognizing the Binding Pattern and Dissociation Pathways of the p300 Taz2-p53 TAD2 Complex
2022 Li, T; Motta, S; Stevens, A; Song, S; Hendrix, E; Pandini, A; He, Y
The mTOR/4E-BP1/eIF4E Signalling Pathway as a Source of Cancer Drug Targets
2022 Maracci, C; Motta, S; Romagnoli, A; Costantino, M; Perego, P; Di Marino, D
No dance, no partner! A tale of receptor flexibility in docking and virtual screening
2022 Basciu, A; Callea, L; Motta, S; Bonvin, A; Bonati, L; Vargiu, A
Control of the eIF4E activity: structural insights and pharmacological implications
2021 Romagnoli, A; D'Agostino, M; Ardiccioni, C; Maracci, C; Motta, S; La Teana, A; Di Marino, D
Study of ligand binding to HIF-2α through Path-Metadynamics
2021 Motta, S; Callea, L; Bonati, L
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
Exploring the drug loading mechanism of photoactive inorganic nanocarriers through molecular dynamics simulations
2021 Motta, S; Siani, P; Levy, A; Di Valentin, C
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
Reconstruction of ARNT PAS-B Unfolding Pathways by Steered Molecular Dynamics and Artificial Neural Networks
2021 Motta, S; Pandini, A; Fornili, A; Bonati, L
Metadynamics-Based Approaches for Modeling the Hypoxia-Inducible Factor 2α Ligand Binding Process
2021 Callea, L; Bonati, L; Motta, S
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
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