Molecular dynamics data for UDG-dsDNA
收藏Recherche Data Gouv France2024-01-01 更新2026-04-09 收录
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https://entrepot.recherche.data.gouv.fr/citation?persistentId=doi:10.57745/G2RQ3E
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资源简介：
UDG-dsDNA-MD simulation. Initially, the UDG-dsDNA complex 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-dsDNA complex. 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.
创建时间：
2024-01-01
