BACE1 inhibitors from VietHerb
收藏NIAID Data Ecosystem2026-03-13 收录
下载链接：
http://datadryad.org/dataset/doi%253A10.5061%252Fdryad.x95x69pjb
下载链接
链接失效反馈官方服务：
资源简介：
An investigation on the potential inhibitors of BACE1 using accurate and precise computational approaches was carried out using Autodock4 package. A shortlist of 20 compounds forming the largest docking energy to BACE1 were then refined using steered molecular dynamics (SMD) simulations.
Methods
The 20 studied compounds and the ligand 23I had steered molecular dynamics (SMD) simulations performed on them using the GROMACS 5.1.3 package.
创建时间：
2021-11-18
