MD Simulation Trajectories of the Best Ligand: Flavonoid Screening for RIPK1 Inhibitors
收藏DataCite Commons2025-04-01 更新2024-08-18 收录
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https://figshare.com/articles/dataset/MD_Simulation_Trajectories_of_the_Best_Ligand_Flavonoid_Screening_for_RIPK1_Inhibitors/24455332/1
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资源简介：
Screening flavonoids using molecular docking, pharmacokinetic profiling, molecular dynamics simulations, and free energy calculations.Trajectories were prepared with gmx trjconv with the option -dt 100 to reduce the file size.
提供机构：
figshare
创建时间：
2023-10-29
