Dataset of Congruent Inhibitors and Decoys (D-COID)
收藏Mendeley Data2024-03-27 更新2024-06-26 收录
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https://data.mendeley.com/datasets/8czn4rxz68
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资源简介：
This dataset contains Rosetta energy-minimized crystal structure of protein-ligand complex and their congruent, property-matched decoys. It was created to serves as a realistic benchmark dataset for tasks in computational drug discovery.
创建时间：
2024-01-23
