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SCO3201 with putative ligand
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创建时间：
2024-02-07
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
Non-bonded interactions of the docked complexes after the 100-ns simulation time, where H, PS, PA, and A represent hydrogen, pi-sulfur, pi-alkyl, and alkyl bonds, respectively.
Non-bonded interactions of the docked complexes after the 100-ns simulation time, where H, PS, PA, and A represent hydrogen, pi-sulfur, pi-alkyl, and alkyl bonds, respectively.
Figshare2022-08-23 更新00
Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.
Comparison of binding properties of vinblastine obtained from molecular docking using Autodock and experiments.
Figshare2013-10-04 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
