Publications by authors named "Alessia Ghidini"

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On Free Energy Calculations in Drug Discovery.
Alessia Ghidini, Eleonora Serra, Andrea Cavalli

Acc Chem Res· October 2025

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Binding Free Energy Calculations Based on the Path Collective Variable along a String Pathway.
Alessia Ghidini, Andrea Cavalli, Benoît Roux

J Phys Chem B· July 2025

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Path-Based Nonequilibrium Binding Free Energy Estimation, from Protein-Ligand to RNA-Ligand Binding.
Eleonora Serra, Alessia Ghidini, Riccardo Aguti, Mattia Bernetti, Sergio Decherchi

J Chem Inf Model· June 2025

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Nonequilibrium Binding Free Energy Simulations: Minimizing Dissipation.
Eleonora Serra, Alessia Ghidini, Sergio Decherchi, Andrea Cavalli

J Chem Theory Comput· February 2025

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Design, Pharmacological Characterization, and Molecular Docking of Minimalist Peptidomimetic Antagonists of αβ Integrin.
Monica Baiula, Michele Anselmi, Francesco Musiani, Alessia Ghidini, Jacopo Carbone

Int J Mol Sci· May 2023

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Synthesis, Biological Activity and Molecular Docking of Chimeric Peptides Targeting Opioid and NOP Receptors.
Karol Wtorek, Alessia Ghidini, Luca Gentilucci, Anna Adamska-Bartłomiejczyk, Justyna Piekielna-Ciesielska

Int J Mol Sci· October 2022

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PacDOCK: A Web Server for Positional Distance-Based and Interaction-Based Analysis of Docking Results.
Jacopo Carbone, Alessia Ghidini, Antonio Romano, Luca Gentilucci, Francesco Musiani

Molecules· October 2022

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