Efficient and Knowledge-based Hierarchal Virtual Screening Applied to Identify Potential Inhibitors of Cholinesterase Enzyme
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https://zenodo.org/record/10791557
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资源简介：
Efficient and Knowledge-based Hierarchal Virtual Screening Applied to Identify Potential Inhibitors of Cholinesterase Enzyme
Description of files:
It has three folders BChE1, BChE3 and AChE. BChE1 folder is for protein 4XII docked with 16 zinc ligands whereas BChE3 is for protein 6ESY with same 16 zinc ligand IDs. AChE folder contains the docking results for the proteins: 4BDT, 4EY6 and 4EY7. All the folders contain 16 folders for individual zinc IDs. Each folder contains 12 files. One file for protein, one file for .dlg and 10 docked poses. Each .dlg file contains scores of individual conformations also.
创建时间：
2024-03-07
