Crowd-sourcing molecular design of non-peptidic VHL binders
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下载链接：
https://zenodo.org/record/14902200
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资源简介：
This dataset contains the set of molecules & puzzle setup information for the work "Drugit: Crowd-sourcing molecular design of non-peptidic VHL binders".
all-player-designed-compounds.sdf -- All 6608 compounds generated by Foldit players.
compounds-passing-preliminary-filtering.sdf -- The 1073 compounds passing the preliminary filtering (see paper for details).
vhl_reference_structure.pdb -- The protein reference context for the bound coordinates of player-designed structures.
vhl_puzzle_*.zip -- The puzzle setup files for each round. (Corresponding round number for each molecule is annotated in the SDF property data).
创建时间：
2025-02-20
