Fabio Pietrucci

Paris, 75005, France

Last Updated: 09/26/2026

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Found 63 publications

Mechanism of Bacterial Arginine N‑Glycosylation: A Chemically Challenging Post-Translational Modification.

Mechanism of Bacterial Arginine N‑Glycosylation: A Chemically Challenging Post-Translational Modification.

Journal: ACS catalysis

Published: October 31, 2025

Robust Conformational Space Exploration of Cyclic Peptides by Combining Different MD Protocols and Force Fields.

Robust Conformational Space Exploration of Cyclic Peptides by Combining Different MD Protocols and Force Fields.

Journal: Journal of chemical theory and computation

Published: September 26, 2025

Correcting Systematic Parametrization Errors in Underdamped Langevin Models of Molecular Dynamics Trajectories.

Correcting Systematic Parametrization Errors in Underdamped Langevin Models of Molecular Dynamics Trajectories.

Journal: Physical review letters

Published: July 16, 2025

Fate of Cadmium and Lead Nitrates in Water.

Fate of Cadmium and Lead Nitrates in Water.

Journal: The journal of physical chemistry. B

Published: July 07, 2025

Structural transitions at the bilayer graphene-methanol interface from ab initio molecular dynamics.

Structural transitions at the bilayer graphene-methanol interface from ab initio molecular dynamics.

Journal: Physical chemistry chemical physics : PCCP

Published: April 30, 2025

PLUMED Tutorials: A collaborative, community-driven learning ecosystem.

PLUMED Tutorials: A collaborative, community-driven learning ecosystem.

Journal: The Journal of chemical physics

Published: December 03, 2024

Correction to "Step by Step Strecker Amino Acid Synthesis from Ab Initio Prebiotic Chemistry".

Correction to "Step by Step Strecker Amino Acid Synthesis from Ab Initio Prebiotic Chemistry".

Journal: The journal of physical chemistry letters

Published: August 12, 2024

Data-Driven Path Collective Variables.

Data-Driven Path Collective Variables.

Journal: Journal of chemical theory and computation

Published: April 15, 2024

Efficient machine learning approach for accurate free-energy profiles and kinetic rates.

Efficient machine learning approach for accurate free-energy profiles and kinetic rates.

Journal: Physical review. E

Published: November 06, 2023

Optimal Reaction Coordinates and Kinetic Rates from the Projected Dynamics of Transition Paths.

Optimal Reaction Coordinates and Kinetic Rates from the Projected Dynamics of Transition Paths.

Journal: Journal of chemical theory and computation

Published: August 07, 2023

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models.

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models.

Journal: The Journal of chemical physics

Published: July 22, 2023

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Journal: Molecules (Basel, Switzerland)

Published: July 09, 2023

Showing 1-12 of 63

Last Updated: 09/26/2026