Simone Aureli

According to our database, Simone Aureli authored at least 4 papers between 2019 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

Learning committor-consistent collective variables.

Thorben Fröhlking, Simone Aureli, Francesco Luigi Gervasio

Nat. Comput. Sci., July, 2025

2024

Investigating Ligand-Mediated Conformational Dynamics of Pre-miR21: A Machine-Learning-Aided Enhanced Sampling Study.

Simone Aureli, Francesco Bellina, Valerio Rizzi, Francesco Luigi Gervasio

J. Chem. Inf. Model., 2024

2022

Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein-Ligand Binding Poses.

Dominykas Lukauskis, Marley L. Samways, Simone Aureli, Benjamin P. Cossins, Richard D. Taylor, Francesco Luigi Gervasio

J. Chem. Inf. Model., 2022

2019

DDT - Drug Discovery Tool: a fast and intuitive graphics user interface for docking and molecular dynamics analysis.

Simone Aureli, Daniele Di Marino, Stefano Raniolo, Vittorio Limongelli

Bioinform., 2019