2 papers
q-bio.QM2026
Reactive molecular dynamics simulations of atenolol first steps degradation by 9CL6 ammonia monooxygenase
Pascal Brault, Matthieu Wolf, Yana Gouzi +2
The persistence of beta-blockers like atenolol in aquatic environments necessitates efficient remediation strategies, such as enzymatic biodegradation. This study employs reactive…
physics.chem-ph2025
Quadrupolar NMR Relaxation as a Local Probe of Collective Dynamics in Aqueous Alcaline and Alcaline-Earth Chlorides Solutions
Matthieu Wolf, Iurii Chubak, Benjamin Rotenberg
While nuclear magnetic resonance (NMR) provides valuable insights into the local environment of many nuclei, the unambiguous interpretation of the signal in terms of microscopic dy…