Author

Ferran Feixas

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Review Open access Aug 2026

Understanding the Dynamics of Mechanically Interlocked Molecular Systems via Metadynamics Simulations.

Mechanically interlocked molecules, such as rotaxanes and catenanes, display complex internal dynamics and reciprocal motions that are central to their use as artificial molecular machines. Revealing how these motions occur, the key interactions, and the rate-limiting steps determining their kinetics is essential for u...

Clara Sabrià, Luigi Leanza, Massimo Delle Piane et al. · The chemical record · 0 citations

Open access Jul 2026

Mechanism for Aromatic Nitration Catalyzed by Cytochrome P450 Enzymes from Rufomycin Biosynthesis

These experiments revealed the intimate and necessary involvement of a histidine residue within the pentapeptide substrate of RufO in supporting effective nitration, with the protonation state of the intermediate compound II proposed to influence the production of nitrated tyrosine over unwanted nitrate formation.

Alicia M. Kirk, Jemma Gullick, Yong-Wei Zhao et al. · Journal of the American Chem... · 2 citations