Unlocking a Nitrosuccinate Lyase for Decarboxylative Enzymatic Hydronitration

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Matteo Aleotti, Dreisbach Hannah, Corlay Remi, Clara Weber, Tamara C. Reiter, Wael Elaily, Bastian Daniel, Klaus Zangger, Pedro A. Sánchez-Murcia, Mélanie Hall
DOI: 10.5281/zenodo.18184253
Cited by: 0

Abstract

MD and QM/MM simulation data of ScCreD in the presence of fumarate, nitrite and (S)-nitrosuccinate + optimized geometries for the reaction mechanism.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
8 January 2026
Document type
Dataset