200 ns classical molecular dynamics of PksJ KR2-ACP4 complex
收藏Mendeley Data2026-04-18 收录
下载链接：
https://data.mendeley.com/datasets/396hfrrpkw
下载链接
链接失效反馈官方服务：
资源简介：
A trajectory from a 200 ns classical molecular dynamics simulations of PksJ ACP4:KR2 complex. The trajectory is stripped from water and ions and contains only frames every 1 ns. The MD simulation was performed using AMBER 20 with ff19SB force field and OPC water model.
This is a supporting dataset for Passmore et al. Chem. Sci. 2021 DOI: 10.1039/D1SC03478B
创建时间：
2021-09-30
