LEADS-PEP dataset
收藏Figshare2023-12-13 更新2026-04-08 收录
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https://figshare.com/articles/dataset/LEADS-PEP_dataset/24802932/1
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资源简介：
LEADS-PEP dataset manually curated to optimize the hydrogen bond network considering protein and ligand protonation states.The description of this dataset preparation and the performance of the DockThor program are published in the following reference:dos Santos, K. B.; Guedes, I. A.; Karl, A. L. M.; Dardenne, L. Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein-Peptide Dataset. <i>J. Chem. Inf. Model.</i> <b>2020</b>, acs.jcim.9b00905. https://doi.org/10.1021/acs.jcim.9b00905.
提供机构：
Grupo de Modelagem Molecular em Sistemas Biológicos, GMMSB
创建时间：
2023-12-13
