Functional Mechanism and Structural Dynamics of Brucella ovis UDP-N-acetylglucosamine Enolpyruvyl Transferase

Published: 19 August 2026| Version 1 | DOI: 10.17632/r37hs7y5m7.1
Contributors:
Andrea Moreno,
,
,
,
,
,

Description

These files were used in the preparation and analysis of a series of molecular dynamics simulations of MurA from Brucella ovis in two different conformations (open and closed) and in absence and presence of its substrate UNAG. Simulations were conducted using the GROMACS 2024.3 software with the AMBER ff03 force field.

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Biochemistry, Molecular Biology, Molecular Dynamics

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