Decoding the Catalytic Strategy of AlkA: Insights from MD Simulations and QM/MM Calculations

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

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Authors: Stacey D. Wetmore, Basel Mansour, Ryan Fjordbotten, Dylan J. Nikkel
DOI: 10.5281/zenodo.18025721
Cited by: 0

Abstract

Supplementary information for the journal arcticle "Decoding the Catalytic Strategy of AlkA: Insights from MD Simulations and QM/MM Calculations".

Fields of Study & Subjects

Metal-Catalyzed Oxygenation Mechanisms Chemical Reaction Mechanisms Protein Structure and Dynamics

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
7 January 2026