A1B4c_DOCK.pdb
收藏DataCite Commons2024-10-16 更新2025-04-16 收录
下载链接：
https://dataverse.unr.edu.ar/file.xhtml?persistentId=doi:10.57715/UNR/NWDOCK/GFFZ7R
下载链接
链接失效反馈官方服务：
资源简介：
This file is the output file in pdb format of the best docking pose of a simulation performed with Glide in extra precision (XP) mode.
The structure of the protein TcBDF3 was obtained from a representative snapshot of a molecular dynamics simulation.
Ligand docking was performed using Schrodinger software (version 2023-3).
The Protein Preparation Wizard within the Schrodinger software was used for protein preparation.
LigPrep was used for ligand preparation. The 20x grid box was centered on the binding site.
The ligand A1B4c is named UNK in the pdb file.
提供机构：
RDA UNR
创建时间：
2024-10-16
