Temperature-driven assembly and disassembly of paclitaxel in a responsive polymer system
收藏NIAID Data Ecosystem2026-05-10 收录
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https://data.mendeley.com/datasets/fc7f6bvxyn
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资源简介：
The data mainly include the initial configurations and electronic structure files of NIP, PTX, and their composite system (Rcluster); the molecular dynamics simulation systems at 300 K (80 ns) and the corresponding binding free energy data; the standalone simulation system of Rcluster; as well as the GROMACS commands used for data extraction and their descriptions, which collectively enable full reproducibility and validation of the results reported in this study.
创建时间：
2026-03-24
