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The Journal of Chemical Physics|October 16, 2021
Impurity diffusion in magic-size icosahedral clustersDiana Nelli, Fabio Pietrucci, Riccardo Ferrando
Journal of Chemical Theory and Computation|November 18, 2015
Capture and Release of CO₂ in Monoethanolamine Aqueous Solutions: New Insights from First-Principles Reaction DynamicsChangru Ma, Fabio Pietrucci, Wanda Andreoni
The Journal of Physical Chemistry Letters|August 14, 2015
Capturing CO2 in Monoethanolamine (MEA) Aqueous Solutions: Fingerprints of Carbamate Formation Assessed with First-Principles SimulationsChangru Ma, Fabio Pietrucci, Wanda Andreoni
Chemical Science|June 24, 2021
How natural materials remove heavy metals from water: mechanistic insights from molecular dynamics simulationsFabio Pietrucci, Mauro Boero, Wanda Andreoni
Physical Chemistry Chemical Physics : PCCP|April 6, 2011
Which similarity measure is better for analyzing protein structures in a molecular dynamics trajectory?Pilar Cossio, Alessandro Laio, Fabio Pietrucci
The Journal of Physical Chemistry Letters|August 19, 2015
Mapping the Native Conformational Ensemble of Proteins from a Combination of Simulations and Experiments: New Insight into the src-SH3 DomainFabio Pietrucci, Luca Mollica, Martin Blackledge
The Journal of Physical Chemistry. B|July 7, 2025
Fate of Cadmium and Lead Nitrates in WaterMauro Boero, Fabio Pietrucci, Wanda Andreoni
Molecules (Basel, Switzerland)|September 28, 2023
CO<sub>2</sub> Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?Changru Ma, Fabio Pietrucci, Wanda Andreoni
Scientific Reports|December 23, 2015
HIV-1 Protease Dimerization Dynamics Reveals a Transient Druggable Binding Pocket at the InterfaceFabio Pietrucci, Attilio Vittorio Vargiu, Agata Kranjc
The Journal of Physical Chemistry Letters|March 15, 2021
Step by Step Strecker Amino Acid Synthesis from Ab Initio Prebiotic ChemistryThéo Magrino, Fabio Pietrucci, A Marco Saitta
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