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资源简介：
molecular docking results
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创建时间：
2022-08-02
相关数据集
DUD-E Diverse
该数据集是一个包含102个靶标和大约150万个化合物的全面配体数据集，旨在为虚拟筛选方法提供一个平衡的基准数据集。其中，“Diverse”子集包含了来自8个靶标和8个诱饵集的116,105个化合物，每个靶标对应使用一个诱饵集，并根据蛋白质类型将这些化合物分为7类。该数据集的规模属于大型，所涉及的任务是虚拟筛选。
arXiv440
Best docking scores among the different LeuRS domains.
Best docking scores among the different LeuRS domains.
NIAID Data Ecosystem40
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
Exploring the binding capacity of lactic acid bacteria derived bacteriocins against RBD of SARS-CoV-2 Omicron variant by molecular simulations
The changes in the SARS-CoV-2 genome have resulted in the emergence of new variants. Some of the variants have been classified as variants of concern (VOC). These strains have higher transmission rate
Taylor & Francis Group2023-11-09 更新60
Docking scores and energy minimization of target proteins.
Molecular docking using models of receptor (protein) and ligand (Testosterone) was carried out using Schrodinger Glide Maestro, USA software. GPCR 205 displayed highest docking score of -8.3Kcal/mol.
Figshare2020-09-03 更新30
