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The archive contains docking by HADDOCK
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创建时间：
2014-06-26
相关数据集
The docking parameters and scores of hub targets with their optimal ligands.
The docking parameters and scores of hub targets with their optimal ligands.
Figshare2025-10-03 更新20
Docking of native peptide (CRIPT) to bound structures and the best clustered one obtained from PRS.
aRMSD values between the top scoring pose in Ångstroms measured over all heavy atoms of the peptide and the peptide's position in the crystal structure.
NIAID Data Ecosystem10
The results of the MM-GBSA analysis and XP docking as additional materials. Based on the XP docking results, compounds having an XP Gscore < −6 were chosen for MM-GBSA analysis.
The results of the MM-GBSA analysis and XP docking as additional materials. Based on the XP docking results, compounds having an XP Gscore < −6 were chosen for MM-GBSA analysis.
NIAID Data Ecosystem00
BRD4 in complex with FragLite2
BRD4 in complex with FragLite2 Descriptor: 4-IODOPYRAZOLE, GLYCEROL, Isoform C of Bromodomain-containing protein 4 Authors: Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. Deposit date: 2022-03-21
Protein Data Bank Japan2024-02-07 更新10
Bioinformatic data set_Omilla
Investigating the potential mechanisms of ASR in treating atherosclerosis using network pharmacology and molecular docking
Figshare2024-10-11 更新10
