MD simulation data for MurA inhibition study: NADD and UDP-GlcNAc complexes (100 ns)
收藏DataCite Commons2026-05-05 更新2026-05-07 收录
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https://zenodo.org/doi/10.5281/zenodo.20032158
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资源简介：
Representative trajectories (200 frames) for molecular dynamics simulations of MurA in complex with its natural substrate UDP-GlcNAc and the inhibitor NADD. Simulations performed with GROMACS 2024.5, AMBER99SB-ILDN force field, 100 ns production run.
提供机构：
Zenodo
创建时间：
2026-05-05
