Interaction of N-3-oxododecanoyl homoserine lactone with transcriptional regulator LasR of Pseudomonas aeruginosa: Insights from molecular docking and dynamics simulations
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/2577844
下载链接
链接失效反馈官方服务：
资源简介：
Dataset and supplementary files of the research: Interaction of N-3-oxododecanoyl homoserine lactone with transcriptional regulator LasR of Pseudomonas aeruginosa: Insights from molecular docking and dynamics simulations (https://doi.org/10.1101/121681)
- Supporting Information
- Input: Parameters and initial structures
- Output: Trajectories, Docking poses
Gromacs (multi-core with CUDA) was used for the simulations.
Autodock Vina, FlexAid and rDock were used for molecular docking.
创建时间：
2024-07-25
