Molecular dynamics data for UDG enzyme

UDG enzyme-MD simulation. Initially, the UDG enzyme was solvated using the TIP3P water model, and 0.15 M sodium and chloride ions were added to neutralize the system. Before running the production MD, minimization and equilibration steps were performed on the UDG enzyme. The final MD production run was conducted on the system for 500 ns to obtain a stable configuration. The 'input' folder contains the files necessary to run the simulation, while the 'output' folder contains the resulting trajectory.