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Simone Aureli
Simone Aureli
University of Geneve
Verified email at unige.ch
Title
Cited by
Cited by
Year
How many antimicrobial peptide molecules kill a bacterium? The case of PMAP-23
D Roversi, V Luca, S Aureli, Y Park, ML Mangoni, L Stella
ACS chemical biology 9 (9), 2003-2007, 2014
1332014
Subcellular location defines GPCR signal transduction
A Radoux-Mergault, L Oberhauser, S Aureli, FL Gervasio, M Stoeber
Science Advances 9 (16), eadf6059, 2023
182023
Phosphorylation of FAM134C by CK2 controls starvation-induced ER-phagy
G Di Lorenzo, F Iavarone, M Maddaluno, AB Plata-Gómez, S Aureli, ...
Science advances 8 (35), eabo1215, 2022
172022
Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses
D Lukauskis, ML Samways, S Aureli, BP Cossins, RD Taylor, FL Gervasio
Journal of Chemical Information and Modeling 62 (23), 6209-6216, 2022
92022
Designing effective anticancer-radiopeptides. A Molecular Dynamics study of their interaction with model tumor and healthy cell membranes
E Capozzi, S Aureli, V Minicozzi, GC Rossi, F Stellato, S Morante
Biochimica et Biophysica Acta (BBA)-Biomembranes 1860 (11), 2348-2355, 2018
82018
Drug repurposing on G protein-coupled receptors using a computational profiling approach
A De Felice, S Aureli, V Limongelli
Frontiers in Molecular Biosciences 8, 673053, 2021
72021
How many AMP molecules kill a bacterium? Spectroscopic determination of PMAP-23 binding to E. coli
D Roversi, V Luca, S Aureli, Y Park, ML Mangoni, L Stella
Biophysical Journal 106 (2), 292a, 2014
72014
DDT-Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysis
S Aureli, D Di Marino, S Raniolo, V Limongelli
Bioinformatics 35 (24), 5328-5330, 2019
62019
OneOPES, a combined enhanced sampling method to rule them all
V Rizzi, S Aureli, N Ansari, FL Gervasio
Journal of Chemical Theory and Computation 19 (17), 5731-5742, 2023
22023
Structural basis of connexin-36 gap junction channel inhibition
X Ding, S Aureli, A Vaithia, P Lavriha, D Schuster, B Khanppnavar, X Li, ...
bioRxiv, 2023.12. 09.570920, 2023
2023
Conformational plasticity and allosteric communication networks explain Shelterin protein TPP1 binding to human telomerase
S Aureli, VB Cardenas, S Raniolo, V Limongelli
Communications Chemistry 6 (1), 242, 2023
2023
Conformational plasticity and allosteric communication networks govern Shelterin protein TPP1 binding to human telomerase
S Aureli, S Raniolo, V Limongelli
bioRxiv, 2023.02. 02.526655, 2023
2023
A Comprehensive Characterisation of the Molecular Binding Mechanism of Shelterin Protein TPP1 to Human Telomerase Investigated by Computational Methods
S Aureli, V Limongelli
Biophysical Journal 118 (3), 376a, 2020
2020
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Articles 1–13